ChemSpider 2D Image | 9-{(3xi)-5-O-[Hydroxy(phosphonooxy)(~13~C_5_)phosphoryl]-beta-D-threo-pentofuranosyl}-9H-purin-6-amine | C513C5H15N5O10P2


  • Molecular FormulaC513C5H15N5O10P2
  • Average mass432.164 Da
  • Monoisotopic mass432.046173 Da
  • ChemSpider ID58782031
  • 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

9-{(3ξ)-5-O-[Hydroxy(phosphonooxy)(13C5)phosphoryl]-β-D-threo-pentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{(3ξ)-5-O-[Hydroxy(phosphonooxy)(13C5)phosphoryl]-β-D-threo-pentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[(3ξ)-5-O-[hydroxy(phosphonooxy)phosphinyl-13C5]-β-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.905
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
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: 31.7±0.5 10-24cm3
Surface Tension: 170.8±7.0 dyne/cm
Molar Volume: 171.1±7.0 cm3

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