ChemSpider 2D Image | 2-Amino-9-[(4xi)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-D-glycero-pentofuranosyl]-7,9-dihydro-3H-purine-6,8-dione | C10H16N5O14P3

2-Amino-9-[(4ξ)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-glycero-pentofuranosyl]-7,9-dihydro-3H-purine-6,8-dione

  • Molecular FormulaC10H16N5O14P3
  • Average mass523.180 Da
  • Monoisotopic mass522.990662 Da
  • ChemSpider ID35032077

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2-Amino-9-[(4ξ)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-glycero-pentofuranosyl]-7,9-dihydro-3H-purine-6,8-dione [ACD/IUPAC Name]
2-Amino-9-[(4ξ)-2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-glycero-pentofuranosyl]-7,9-dihydro-3H-purin-6,8-dion [German] [ACD/IUPAC Name]
2-Amino-9-[(4ξ)-2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-α-D-glycéro-pentofuranosyl]-7,9-dihydro-3H-purine-6,8-dione [French] [ACD/IUPAC Name]
3H-Purine-6,8-dione, 2-amino-9-[(4ξ)-2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-α-D-glycero-pentofuranosyl]-7,9-dihydro- [ACD/Index Name]
({[({[(3S)-5-(2-amino-6,8-dioxo-6,7,8,9-tetrahydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
({[(3S)-5-(2-amino-6,8-dioxo-3,7-dihydropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
139307-94-1 [RN]
2'-Deoxy-7,8-dihydro-8-oxo-Guanosine 5'-(tetrahydrogen triphosphate)
8-Hydroxy-2'-deoxyguanosine 5'-triphosphate
8-Oxo-2'-deoxyguanosine 5'-triphosphate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.936
Molar Refractivity: 90.7±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.00
ACD/LogD (pH 5.5): -12.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 319 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 215.8±7.0 dyne/cm
Molar Volume: 189.6±7.0 cm3

Click to predict properties on the Chemicalize site


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