ChemSpider 2D Image | 5-[(E)-2-Bromovinyl]-1-(2-deoxy-D-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione | C11H13BrN2O5

5-[(E)-2-Bromovinyl]-1-(2-deoxy-D-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H13BrN2O5
  • Average mass333.135 Da
  • Monoisotopic mass332.000763 Da
  • ChemSpider ID23233058

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 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-(2-deoxy-D-erythro-pentofuranosyl)- [ACD/Index Name]
5-[(E)-2-Bromovinyl]-1-(2-deoxy-D-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-[(E)-2-Bromovinyl]-1-(2-désoxy-D-érythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-[(E)-2-Bromvinyl]-1-(2-desoxy-D-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC 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: 1.709
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.08
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.59
Polar Surface Area: 99 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 87.8±3.0 dyne/cm
Molar Volume: 179.4±3.0 cm3

Click to predict properties on the Chemicalize site


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