ChemSpider 2D Image | 5,6-Dichloro-1-[(4xi)-alpha-D-erythro-pentofuranosyl]-1H-benzimidazole | C12H12Cl2N2O4

5,6-Dichloro-1-[(4ξ)-α-D-erythro-pentofuranosyl]-1H-benzimidazole

  • Molecular FormulaC12H12Cl2N2O4
  • Average mass319.141 Da
  • Monoisotopic mass318.017426 Da
  • ChemSpider ID129225865

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Benzimidazole, 5,6-dichloro-1-[(4ξ)-α-D-erythro-pentofuranosyl]- [ACD/Index Name]
5,6-Dichlor-1-[(4ξ)-α-D-erythro-pentofuranosyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
5,6-Dichloro-1-[(4ξ)-α-D-erythro-pentofuranosyl]-1H-benzimidazole [ACD/IUPAC Name]
5,6-Dichloro-1-[(4ξ)-α-D-érythro-pentofuranosyl]-1H-benzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 606.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.4±34.3 °C
Index of Refraction: 1.750
Molar Refractivity: 70.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.18
ACD/KOC (pH 5.5): 128.19
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.19
ACD/KOC (pH 7.4): 128.37
Polar Surface Area: 88 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 172.8±7.0 cm3

Click to predict properties on the Chemicalize site


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