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ChemSpider 2D Image | 1-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-beta-L-ribofuranosyl}-2,4(1H,3H)-pyrimidinedione | C9H14N2O12P2

1-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-L-ribofuranosyl}-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H14N2O12P2
  • Average mass404.161 Da
  • Monoisotopic mass404.002197 Da
  • ChemSpider ID57492259
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-L-ribofuranosyl}-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-L-ribofuranosyl}-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-β-L-ribofuranosyl}-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-L-ribofuranosyl]- [ACD/Index Name]
91183-98-1 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.27
ACD/LogD (pH 5.5): -9.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 117.6±3.0 dyne/cm
Molar Volume: 201.8±3.0 cm3

Click to predict properties on the Chemicalize site






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