ChemSpider 2D Image | 9-[2-Amino-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-2-imino-3,9-dihydro-2H-purin-6-ol | C10H17N6O13P3

9-[2-Amino-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-2-imino-3,9-dihydro-2H-purin-6-ol

  • Molecular FormulaC10H17N6O13P3
  • Average mass522.196 Da
  • Monoisotopic mass522.006653 Da
  • ChemSpider ID57270194

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2H-Purin-6-ol, 9-[2-amino-2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3,9-dihydro-2-imino- [ACD/Index Name]
9-[2-Amino-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-2-imino-3,9-dihydro-2H-purin-6-ol [ACD/IUPAC Name]
9-[2-Amino-2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-2-imino-3,9-dihydro-2H-purin-6-ol [German] [ACD/IUPAC Name]
9-[2-Amino-2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-2-imino-3,9-dihydro-2H-purin-6-ol [French] [ACD/IUPAC Name]
2'-AMINO-2'-DEOXYGUANOSINE-5'-TRIPHOSPATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.8±0.1 g/cm3
Boiling Point: 997.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.4±3.0 kJ/mol
Flash Point: 556.8±37.1 °C
Index of Refraction: 1.956
Molar Refractivity: 91.7±0.5 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.77
ACD/LogD (pH 5.5): -12.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 331 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 219.9±7.0 dyne/cm
Molar Volume: 189.1±7.0 cm3

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