ChemSpider 2D Image | 1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-ethyl-2,4(1H,3H)-pyrimidinedione | C11H19N2O14P3

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

  • Molecular FormulaC11H19N2O14P3
  • Average mass496.195 Da
  • Monoisotopic mass496.004913 Da
  • ChemSpider ID28587697

More details:






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

1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-ethyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-ethyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-5-éthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-5-ethyl- [ACD/Index Name]
7312-56-3 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.593
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -4.77
ACD/LogD (pH 5.5): -11.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 93.5±3.0 dyne/cm
Molar Volume: 268.4±3.0 cm3

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