ChemSpider 2D Image | 2-Amino-9-(2-deoxy-3,5-di-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-one | C10H15N5O10P2

2-Amino-9-(2-deoxy-3,5-di-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H15N5O10P2
  • Average mass427.201 Da
  • Monoisotopic mass427.029419 Da
  • ChemSpider ID23138446

More details:

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

2-Amino-9-(2-deoxy-3,5-di-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-(2-desoxy-3,5-di-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-(2-désoxy-3,5-di-O-phosphonopentofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 2-amino-9-(2-deoxy-3,5-di-O-phosphonopentofuranosyl)- [ACD/Index Name]
198903-87-6 [RN]
CHEMBL264849
Phosphoric acid mono-[5-(2-amino-6-hydroxy-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester

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

Density: 2.5±0.1 g/cm3
Boiling Point: 944.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 524.8±37.1 °C
Index of Refraction: 1.905
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.95
ACD/LogD (pH 5.5): -9.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 170.8±7.0 dyne/cm
Molar Volume: 171.1±7.0 cm3

Click to predict properties on the Chemicalize site


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