ChemSpider 2D Image | 7-Chloro-5-(2-chlorophenyl)-3-hydroxy-3H-1,4-benzodiazepin-2-yl beta-D-glucopyranosiduronic acid | C21H18Cl2N2O8

7-Chloro-5-(2-chlorophenyl)-3-hydroxy-3H-1,4-benzodiazepin-2-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC21H18Cl2N2O8
  • Average mass497.282 Da
  • Monoisotopic mass496.044006 Da
  • ChemSpider ID77499307

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

7-Chlor-5-(2-chlorphenyl)-3-hydroxy-3H-1,4-benzodiazepin-2-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
7-Chloro-5-(2-chlorophenyl)-3-hydroxy-3H-1,4-benzodiazepin-2-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 7-chloro-5-(2-chlorophényl)-3-hydroxy-3H-1,4-benzodiazépin-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 7-chloro-5-(2-chlorophenyl)-3-hydroxy-3H-1,4-benzodiazepin-2-yl [ACD/Index 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: 772.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 420.8±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 71.0±7.0 dyne/cm
Molar Volume: 281.0±7.0 cm3

Click to predict properties on the Chemicalize site


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