ChemSpider 2D Image | 1-[2-Deoxy-3-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione | C10H17N2O14P3

1-[2-Deoxy-3-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC10H17N2O14P3
  • Average mass482.168 Da
  • Monoisotopic mass481.989258 Da
  • ChemSpider ID68027538
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-[2-Deoxy-3-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[2-Desoxy-3-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[2-Désoxy-3-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-érythro-pentofuranosyl]-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-3-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-L-erythro-pentofuranosyl]-5-methyl- [ACD/Index Name]
Thymidine 3'-triphosphoric acid

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.13
ACD/LogD (pH 5.5): -11.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 105.0±5.0 dyne/cm
Molar Volume: 248.3±5.0 cm3

Click to predict properties on the Chemicalize site






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