ChemSpider 2D Image | 2-(~15~N)Amino-9-[(3xi)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-threo-pentofuranosyl](2-~13~C,1-~15~N)-1,9-dihydro-6H-purine-6-thione | C913CH16N315N2O13P3S

2-(15N)Amino-9-[(3ξ)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-threo-pentofuranosyl](2-13C,1-15N)-1,9-dihydro-6H-purine-6-thione

  • Molecular FormulaC913CH16N315N2O13P3S
  • Average mass542.226 Da
  • Monoisotopic mass541.965210 Da
  • ChemSpider ID58784937

  • 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-(15N)Amino-9-[(3ξ)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-threo-pentofuranosyl](2-13C,1-15N)-1,9-dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
2-(15N)Amino-9-[(3ξ)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-threo-pentofuranosyl](2-13C,1-15N)-1,9-dihydro-6H-purine-6-thione [ACD/IUPAC Name]
2-(15N)Amino-9-[(3ξ)-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-thréo-pentofuranosyl](2-13C,1-15N)-1,9-dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
6H-Purine-6-thione-2-13C-1-15N, 2-(amino-15N)-1,9-dihydro-9-[(3ξ)-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-threo-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.950
Molar Refractivity: 97.1±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: 38.5±0.5 10-24cm3
Surface Tension: 193.6±7.0 dyne/cm
Molar Volume: 201.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement