ChemSpider 2D Image | 1-(2-Deoxy-beta-L-erythro-pentofuranosyl)-5-ethynyl-4-imino-3,4-dihydro-2(1H)-pyrimidinone | C11H13N3O4

1-(2-Deoxy-β-L-erythro-pentofuranosyl)-5-ethynyl-4-imino-3,4-dihydro-2(1H)-pyrimidinone

  • Molecular FormulaC11H13N3O4
  • Average mass251.239 Da
  • Monoisotopic mass251.090607 Da
  • ChemSpider ID111311138

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-β-L-erythro-pentofuranosyl)-5-ethynyl-4-imino-3,4-dihydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
1-(2-Desoxy-β-L-erythro-pentofuranosyl)-5-ethinyl-4-imino-3,4-dihydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-(2-Désoxy-β-L-érythro-pentofuranosyl)-5-éthynyl-4-imino-3,4-dihydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 1-(2-deoxy-β-L-erythro-pentofuranosyl)-5-ethynyl-3,4-dihydro-4-imino- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 60.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 106 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 162.5±7.0 cm3

Click to predict properties on the Chemicalize site


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