ChemSpider 2D Image | 2-Amino-9-{(2xi)-5-O-[hydroxy(phosphonooxy)phosphoryl]-beta-D-threo-pentofuranosyl}(8-~14~C)-1,9-dihydro-6H-purin-6-one | C914CH15N5O11P2

2-Amino-9-{(2ξ)-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-threo-pentofuranosyl}(8-14C)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC914CH15N5O11P2
  • Average mass445.193 Da
  • Monoisotopic mass445.027557 Da
  • ChemSpider ID114394292
  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

2-Amino-9-{(2ξ)-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-threo-pentofuranosyl}(8-14C)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{(2ξ)-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-threo-pentofuranosyl}(8-14C)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{(2ξ)-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-thréo-pentofuranosyl}(8-14C)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one-8-14C, 2-amino-1,9-dihydro-9-[(2ξ)-5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.940
Molar Refractivity: 80.7±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 189.0±7.0 dyne/cm
Molar Volume: 168.3±7.0 cm3

Click to predict properties on the Chemicalize site






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