C9H11FN2O5 Uridine, 2 ′ -deoxy -2 ′ -fluoro- (7ci, 8ci, 9ci, aci)
Numero ng rehistro ng CAS
784-71-4
H228
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 246.19 | - |
| Natutunaw na punto (eksperimentong) | 149-150 ° C. | - |
| Density (hinulaang) | 1.63 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 9.39 ± 0.10 | Karamihan sa acidic temp: 25 ° C. |
Canonical smiles
O = C1C = CN (C (= O) N1) C2OC (CO) C (O) C2F
Ngumiti si Isomeric
F [c@h] 1 [c @@ h] (o [c@h] (co) [c@h] 1o) n2c (= o) nc (= o) c = c2
Inchi
Inchi = 1S/C9H11FN2O5/C10-6-7 (15) 4 (3-13) 17-8 (6) 12-2-1-5 (14) 11-9 (12) 16/H1-2,4,6-8,13,15H, 3H2, (H, 11,14,16)/T4-, 6-, 7-, 8-/m1/s1
Inchi key
Uiywfozzizeekj-xvfcmesa-n
4 Iba pang mga pangalan para sa sangkap na ito
2 ′ -deoxy -2 ′ -fluorouridine (ACI); 1- (2-deoxy-2-fluoro- β -d -ribofuranosyl) uracil; 2 ′ -fluoro -2 ′ -deoxyuridine; 2 ′ -fluoro -uridine
Magagamit ang mga pag -aari
Optical at pagkalat
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Optical rotatory power | +52 deg | Solvent: tubig; λ: 589.3 nm; Temp: 20 ° C. | (1) Cas |
(1) Codington, John F.; Journal ng American Chemical Society, (1961), 83, 5030-1, Caplus
| Ari -arian | Halaga | Mapagkukunan ng kondisyon |
| Natutunaw na punto | 149-150 ° C. | (1) IC |
| Natutunaw na punto | Tingnan ang buong teksto | (2) Cas |
| Natutunaw na punto | Tingnan ang buong teksto | (3) IC |
(1) Mercer, John R.; Journal of Medicinal Chemistry, (1989), 32 (6), 1289-94, Caplus
(2) Codington, John F.; Journal ng American Chemical Society, (1961), 83, 5030-1, Caplus
(3) Van Aerschot, A.; Bulletin des Societes Chimiques Belges, (1989), 98 (12), 937-41, Caplus
Magagamit ang spectra
1 h nmr
13 C NMR
Hetero nmr
IR
Mass
Raman
UV at nakikita
Magagamit ang mga pag -aari
Biological
Kemikal
Density
Lipinski
May kaugnayan sa istraktura
| 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 | 12.1 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 12.1 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 12.1 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 12.1 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 12.1 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 12.1 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 12.1 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 11.6 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 8.45 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 2.33 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.54 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.56 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.70 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | -1.25 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Logp | -0.538 ± 0.456 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 4.9 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.9 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.9 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.9 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.9 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.9 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.9 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.9 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.2 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 6.9 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 25 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.9 g/l | Hindi nabuong tubig pH 5.53; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 0.020 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.020 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.020 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.020 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.020 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.020 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.020 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.020 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.021 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.028 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.10 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.020 mol/l | Hindi nabuong tubig pH 5.53; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 246.19 | ||
| PKA | 9.39 ± 0.10 | Karamihan sa acidic 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 | 1.63 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 150.8 ± 5.0 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 | 4 | (1) ACD | |
| H Mga Tanggap | 7 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 10 | (1) ACD | |
| Logp | -0.538 ± 0.456 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 246.19 |
(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 | 99.1 A2 | (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 | |
| H228 Flammable Solid | 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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