![C9H10N2O5 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl)-, (2r, 3 r, 3as, 9ar)-(9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C9H10N2O5 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl)-, (2r, 3 r, 3as, 9ar)-(9ci, aci)](https://cdn.globalso.com/nvchem/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl)-, (2r, 3 r, 3as, 9ar)-(9ci, aci)
Numero ng rehistro ng CAS
3736-77-4
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 226.19 | - |
| Natutunaw na punto (eksperimentong) | 234-235 ° C. | - |
| Boiling point (hinulaang) | 456.3 ± 55.0 ° C. | Pindutin: 760 Torr |
| Density (hinulaang) | 2.01 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 12.55 ± 0.40 | Karamihan sa acidic temp: 25 ° C. |
Canonical smiles
O = C1n = C2OC3C (O) C (OC3N2C = C1) CO
Ngumiti si Isomeric
O [c@h] 1 [c@] 2 ([c@] (n3c (o2) = nc (= o) c = c3) (o [c @@ h] 1co) [h]) [h]
Inchi
Inchi = 1S/C9H10N2O5/C12-3-4-6 (14) 7-8 (15-4) 11-2-1-5 (13) 10-9 (11) 16-7/H1-2,4,6-8,12,14H, 3H2/T4-, 6-, 7+, 8-/M1/s1
Inchi key
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Iba pang mga pangalan para sa sangkap na ito
. 6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-(6ci, 7ci); 6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, [2r- (2α, 3β, 3aβ, 9aβ)]-(zci); 6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a]
pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, stereoisomer (8ci); 2,2 ′ -anhydro (1- β -D -arabinofuranosyl) uracil; 2,2 ′ -anhydro-1- β -d-arabino-furanosyluracil; 2,2 ′ -anhydro-N1- (β -D-arabinofuranosyl) uracil; 2,2 ′ -anhydrouridine; 2,2 ′ -O -cyclouridine; NSC 157148; O2,2 ′ -anhydrouridine; O2,2 ′ -cyclouridine; β -D-2 ′, 2-O-cycloarabinouridine
Magagamit ang mga pag -aari
Optical at pagkalat
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Optical rotatory power | -19 deg | Solvent: Methanol; λ: 589.3 nm; Temp: 26 ° C. | (1) Cas |
(1) Codington, John F.; Journal ng American Chemical Society, (1961), 83, 5030-1, Caplus
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Natutunaw na punto | 250-253 ° C. | (1) Cas | |
| Natutunaw na punto | 246 ° C. | Solvent: Ethanol; Isopropanol | (2) Cas |
| Natutunaw na punto | 242-245 ° C. | (3) Cas | |
| Natutunaw na punto | 242-243 ° C. | (4) Cas | |
| Natutunaw na punto | 236-238 ° C (Decomp) | (5) Cas | |
| Natutunaw na punto | 234 ° C. | (6) Cas | |
| Natutunaw na punto | 234-235 ° C. | (7) Cas | |
| Natutunaw na punto | 233-234 ° C (Decomp) | Solvent: Methanol | (8) Cas |
| Natutunaw na punto | Tingnan ang buong teksto | (9) Cas |
(1) Lin, Kun-I.; Journal ng Chinese Chemical Society (Taipei, Taiwan), (2007), 54 (2), 563-568, Caplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25 (7), 719-734, Caplus
(3) Wnuk, Stanislaw F.; Journal of Organic Chemistry, (2002), 67 (6), 1816-1819, Caplus
(4) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35 (8), 410-425, Caplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, Caplus
(6) Krizmanic, Irena; Tetrahedron, (2003), 59 (23), 4047-4057, Caplus
(7) Kayumanggi, DM; Journal of the Chemical Society, (1958), 3035-8, Caplus
(8) li, heting; Synthetic Communications, (2006), 36 (14), 1933-1940, Caplus
(9) Codington, John F.; Journal ng American Chemical Society, (1961), 83, 5030-1, Caplus
Magagamit ang spectra
1 h nmr
13 C NMR
IR
Magagamit ang spectra
Mass
Magagamit ang mga pag -aari
Biological
Kemikal
Density
Lipinski
May kaugnayan sa istraktura
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 7.66 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 7.66 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 7.66 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 7.64 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | -0.91 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | -0.906 ± 0.555 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 4.7 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.7 g/l | Hindi nabuong tubig pH 6.91; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 0.021 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 0.021 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Hindi nabuong tubig pH 6.91; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 226.19 | ||
| PKA | 12.55 ± 0.40 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | -4.68 ± 0.60 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
| Presyon ng singaw | 3.04 x 10-10 Torr | Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Density | 2.01 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 112.3 ± 7.0 cm3/mol | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 3 | (1) ACD | |
| H Mga Tanggap | 7 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 9 | (1) ACD | |
| Logp | -0.906 ± 0.555 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 226.19 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Mapagkukunan ng kondisyon |
| Polar Surface Area | 91.6 A2 | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Boiling point | 456.3 ± 55.0 ° C. | Pindutin: 760 Torr | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Enthalpy ng singaw | 82.62 ± 6.0 kJ/mol | Pindutin: 760 Torr | (1) ACD |
| Flash point | 229.8 ± 31.5 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1 h nmr
13 C NMR
| Pinagmulan ng Hazard Pahayag | |
| H302 nakakapinsala kung nilamon | Pag -uuri at label ng European Chemical Agency (ECHA) Inventory - Nabatid na Pag -uuri at Pag -label - Karamihan sa Mga Karaniwang Abiso, European Chemical Agency (ECHA) Pag -uuri at Pag -label ng Pag -label - Nabatid na Pag -uuri at Pag -label - Karamihan sa Mga Seryosong Abiso |
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![C10H12N2O5 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl) -7-methyl-, (2r, 3 r, 3as, 9ar)-(9](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
