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

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

  • Molecular FormulaC21H18Cl2N2O8
  • Average mass497.282 Da
  • Monoisotopic mass496.044006 Da
  • ChemSpider ID34992915

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S)-7-Chlor-5-(2-chlorphenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
(3S)-7-Chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-3-(β-D-glucopyranuronosyloxy)-1,3-dihydro-, (3S)- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de (3S)-7-chloro-5-(2-chlorophényl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazépin-3-yle [French] [ACD/IUPAC Name]
32781-79-6 [RN]
Lorazepam glucuronide
UNII-P0G8I56129

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

Density: 1.8±0.1 g/cm3
Boiling Point: 779.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 425.2±32.9 °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: 0.60
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 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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