ChemSpider 2D Image | 1-{2-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-beta-D-erythro-pentofuranosyl}-4-hydroxy-5-methyl-2(1H)-(2-~14~C)pyrimidinone | C914CH16N2O11P2

1-{2-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-erythro-pentofuranosyl}-4-hydroxy-5-methyl-2(1H)-(2-14C)pyrimidinone

  • Molecular FormulaC914CH16N2O11P2
  • Average mass404.181 Da
  • Monoisotopic mass404.026184 Da
  • ChemSpider ID57268156
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

1-{2-Deoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-erythro-pentofuranosyl}-4-hydroxy-5-methyl-2(1H)-(2-14C)pyrimidinone [ACD/IUPAC Name]
1-{2-Desoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-erythro-pentofuranosyl}-4-hydroxy-5-methyl-2(1H)-(2-14C)pyrimidinon [German] [ACD/IUPAC Name]
1-{2-Désoxy-5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-érythro-pentofuranosyl}-4-hydroxy-5-méthyl-2(1H)-(2-14C)pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone-2-14C, 1-[2-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-erythro-pentofuranosyl]-4-hydroxy-5-methyl- [ACD/Index Name]
THYMIDINE-5'-DIPHOSPHATE[2-14C]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 75.1±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: 29.8±0.5 10-24cm3
Surface Tension: 117.2±7.0 dyne/cm
Molar Volume: 189.8±7.0 cm3

Click to predict properties on the Chemicalize site






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