ChemSpider 2D Image | 2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-one | C10H17N6O13P3

2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H17N6O13P3
  • Average mass522.196 Da
  • Monoisotopic mass522.006653 Da
  • ChemSpider ID1756

More details:

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

2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-3,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonoamino)phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]

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

Density: 2.8±0.1 g/cm3
Boiling Point: 1042.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.7±3.0 kJ/mol
Flash Point: 584.0±37.1 °C
Index of Refraction: 1.975
Molar Refractivity: 92.3±0.5 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.01
ACD/LogD (pH 5.5): -11.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 224.8±7.0 dyne/cm
Molar Volume: 187.9±7.0 cm3

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