ChemSpider 2D Image | 1-(3-O-Phosphono-beta-D-ribofuranosyl)-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone | C9H13N2O8PS

1-(3-O-Phosphono-β-D-ribofuranosyl)-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone

  • Molecular FormulaC9H13N2O8PS
  • Average mass340.247 Da
  • Monoisotopic mass340.013031 Da
  • ChemSpider ID67034414

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(3-O-Phosphono-β-D-ribofuranosyl)-4-thioxo-3,4-dihydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(3-O-Phosphono-β-D-ribofuranosyl)-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-(3-O-Phosphono-β-D-ribofuranosyl)-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 3,4-dihydro-1-(3-O-phosphono-β-D-ribofuranosyl)-4-thioxo- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 70.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -6.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 119.8±5.0 dyne/cm
Molar Volume: 180.5±5.0 cm3

Click to predict properties on the Chemicalize site


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