ChemSpider 2D Image | 2-Amino-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-3,9-dihydro-6H-purine-6-thione | C10H16N5O12P3S

2-Amino-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-3,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC10H16N5O12P3S
  • Average mass523.247 Da
  • Monoisotopic mass522.972900 Da
  • ChemSpider ID2272115
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Amino-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-3,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
2-Amino-9-[2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-erythro-pentofuranosyl]-3,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
2-Amino-9-[2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-érythro-pentofuranosyl]-3,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
6H-Purine-6-thione, 2-amino-9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-erythro-pentofuranosyl]-3,9-dihydro- [ACD/Index Name]
17660-38-7 [RN]
2-Amino-9-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}phosphoryl]-β-D-Erythro-Pentofuranosyl}-1,9-Dihydro-6h-Purine-6-Thione
2'-Deoxy-6-thioguanosine 5'-(tetrahydrogen triphosphate)
2'-Deoxy-6-thioguanosine 5'-triphosphate
2'-Deoxy-6-thioguanosine, 5'-triphosphate
dG(S)TP
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS008826 [DBID]
AIDS-008826 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 976.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.1±3.0 kJ/mol
Flash Point: 544.4±37.1 °C
Index of Refraction: 1.920
Molar Refractivity: 96.3±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.68
ACD/LogD (pH 5.5): -10.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 319 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 177.9±7.0 dyne/cm
Molar Volume: 203.8±7.0 cm3

Click to predict properties on the Chemicalize site






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