ChemSpider 2D Image | 5-[(E)-2-Cyanovinyl]-1-(2-deoxy-beta-L-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione | C12H13N3O5

5-[(E)-2-Cyanovinyl]-1-(2-deoxy-β-L-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC12H13N3O5
  • Average mass279.249 Da
  • Monoisotopic mass279.085510 Da
  • ChemSpider ID57492022

  • Double-bond stereo - Double-bond stereo

    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-cyanoethenyl]-1-(2-deoxy-β-L-erythro-pentofuranosyl)- [ACD/Index Name]
5-[(E)-2-Cyanovinyl]-1-(2-deoxy-β-L-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-[(E)-2-Cyanovinyl]-1-(2-désoxy-β-L-érythro-pentofuranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-[(E)-2-Cyanvinyl]-1-(2-desoxy-β-L-erythro-pentofuranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
80173-35-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 66.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.14
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.42
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.91
Polar Surface Area: 123 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 92.3±3.0 dyne/cm
Molar Volume: 176.1±3.0 cm3

Click to predict properties on the Chemicalize site


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