ChemSpider 2D Image | (2R,3R,5R)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)tetrahydrofuran-3,4-diol | C12H11Cl3N2O4

(2R,3R,5R)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)tetrahydrofuran-3,4-diol

  • Molecular FormulaC12H11Cl3N2O4
  • Average mass353.586 Da
  • Monoisotopic mass351.978455 Da
  • ChemSpider ID98612119

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2,5,6-Trichlor-1-[(2ξ)-β-D-threo-pentofuranosyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
2,5,6-Trichloro-1-[(2ξ)-β-D-thréo-pentofuranosyl]-1H-benzimidazole [French] [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: 638.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.1±34.3 °C
Index of Refraction: 1.760
Molar Refractivity: 75.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.92
ACD/KOC (pH 5.5): 306.77
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.92
ACD/KOC (pH 7.4): 306.78
Polar Surface Area: 88 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 71.7±7.0 dyne/cm
Molar Volume: 182.1±7.0 cm3

Click to predict properties on the Chemicalize site


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