ChemSpider 2D Image | 1-[2,3-Dideoxy-3-(2-methyl-4-nitro-1H-imidazol-1-yl)-beta-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C13H15N5O6

1-[2,3-Dideoxy-3-(2-methyl-4-nitro-1H-imidazol-1-yl)-β-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC13H15N5O6
  • Average mass337.288 Da
  • Monoisotopic mass337.102234 Da
  • ChemSpider ID57522756

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[2,3-Dideoxy-3-(2-methyl-4-nitro-1H-imidazol-1-yl)-β-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[2,3-Didesoxy-3-(2-methyl-4-nitro-1H-imidazol-1-yl)-β-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[2,3-Didésoxy-3-(2-méthyl-4-nitro-1H-imidazol-1-yl)-β-L-érythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2,3-dideoxy-3-(2-methyl-4-nitro-1H-imidazol-1-yl)-β-L-erythro-pentofuranosyl]- [ACD/Index Name]
132149-49-6 [RN]

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: 1.760
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.41
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.34
Polar Surface Area: 143 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 82.8±7.0 dyne/cm
Molar Volume: 190.2±7.0 cm3

Click to predict properties on the Chemicalize site


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