ChemSpider 2D Image | 6-Amino-3-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-3,9-dihydro-2H-purin-2-one | C10H15N5O11P2

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

  • Molecular FormulaC10H15N5O11P2
  • Average mass443.201 Da
  • Monoisotopic mass443.024323 Da
  • ChemSpider ID95637858

More details:






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

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

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

Density: 2.6±0.1 g/cm3
Boiling Point: 968.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.7±3.0 kJ/mol
Flash Point: 539.3±37.1 °C
Index of Refraction: 1.940
Molar Refractivity: 80.7±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -5.94
ACD/LogD (pH 5.5): -10.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 270 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 189.0±7.0 dyne/cm
Molar Volume: 168.3±7.0 cm3

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