ChemSpider 2D Image | 5-[(E)-2-Bromovinyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4(1H,3H)-pyrimidinedione | C12H15BrN2O4

5-[(E)-2-Bromovinyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC12H15BrN2O4
  • Average mass331.163 Da
  • Monoisotopic mass330.021515 Da
  • ChemSpider ID34972710

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-[(E)-2-bromoethenyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]- [ACD/Index Name]
5-[(E)-2-Bromovinyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-[(E)-2-Bromovinyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxyméthyl)cyclopentyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-[(E)-2-Bromvinyl]-1-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
CHEMBL341644

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.703
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.45
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.81
Polar Surface Area: 90 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 83.2±3.0 dyne/cm
Molar Volume: 188.3±3.0 cm3

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