C13H19N5O6 Guanosine, 2 ′ -O- (2-methoxyethyl)-(9ci, ACI)
Numero ng rehistro ng CAS
473278-54-5
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 341.32 | - |
| Boiling point (hinulaang) | 715.0 ± 70.0 ° C. | Pindutin: 760 Torr |
| Density (hinulaang) | 1.81 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 13.20 ± 0.70 | Karamihan sa acidic temp: 25 ° C. |
Canonical smiles
O = C1N = C (N) NC2 = C1N = CN2C3OC (CO) C (O) C3OCCOC
Ngumiti si Isomeric
O (ccoc) [c@h] 1 [c @@ h] (o [c@h] (co) [c@h] 1o) n2c3 = c (n = c2) c (= o) n = c (n) n3
Inchi
Inchi = 1S/C13H19N5O6/C1-22-2-3-23-9-8 (20) 6 (4-19) 24-12 (9) 18-5-15-7-10 (18) 16-13 (14) 17-11 (7) 21/H5-6,8-9,12,19-20H, 2-4H2,1H3, (H3, 14,16,17,21)/t6-, 8-, 9-, 12-/m1/s1
Inchi key
Dllbjslikokfhe-woUkdfqisa-n
1 iba pang pangalan para sa sangkap na ito
2 ′ -O-(2-methoxyethyl) guanosine (ACI)
Magagamit ang mga pag -aari
Optical at pagkalat
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Optical rotatory power | -51 deg-ml/g-dm | C: 1.4 g/100ml; Solvent: Dichloromethane; λ: 589.3 nm; Temp: 25 ° C. | (1) Cas |
| Optical rotatory power | Tingnan ang buong teksto | (2) Cas |
(1) Wen, Ke; Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, Caplus
(2) Wen, Ke; Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, Caplus
| Ari -arian | Halaga | Mapagkukunan ng kondisyon |
| Natutunaw na punto | Tingnan ang buong teksto | (1) Cas |
(1) Taj, Shabbir Ali S.; Nucleosides, Nucleotides & Nucleic Acids, (2008), 27 (9), 1024-1033, Caplus
Magagamit ang spectra
1 h nmr
13 C NMR
IR
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 |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| 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 | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 4.27 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 8.49 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 9.43 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 9.54 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 9.55 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 9.55 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 9.55 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 9.54 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | -2.65 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -1.84 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | -1.08 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | -0.78 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | -0.74 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | -0.73 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | -0.730 ± 0.568 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 0.44 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 38 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.5 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Solubility ng Mass | 0.96 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.48 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.44 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.44 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.44 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.44 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.44 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.44 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.44 g/l | Hindi natukoy na tubig pH 7.20; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 1.3 x 10-3 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.11 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 0.016 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.8 x 10-3 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.4 x 10-3 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-3 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-3 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-3 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-3 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-3 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-3 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.3 x 10-3 mol/l | Hindi natukoy na tubig pH 7.20; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 341.32 | ||
| PKA | 13.20 ± 0.70 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 3.00 ± 0.20 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
| Presyon ng singaw | 1.86 x 10-21 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 | 1.81 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 188.5 ± 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 | 8 | (1) ACD | |
| H Mga Tanggap | 11 | (1) ACD | |
| H donor | 5 | (1) ACD | |
| H Donor/Acceptor Sum | 16 | (1) ACD | |
| Logp | -0.730 ± 0.568 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 341.32 |
(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 | 153 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 | 715.0 ± 70.0 ° C. | Pindutin: 760 Torr | (1) ACD |
| Enthalpy ng singaw | 109.72 ± 3.0 kJ/mol | Pindutin: 760 Torr | (1) ACD |
| Flash point | 386.2 ± 35.7 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1h nmr
13c nmr
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