ChemSpider 2D Image | 7-Chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl beta-D-glucopyranosiduronic acid | C22H20Cl2N2O8

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

  • Molecular FormulaC22H20Cl2N2O8
  • Average mass511.309 Da
  • Monoisotopic mass510.059662 Da
  • ChemSpider ID137747

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-3-(β-D-glucopyranuronosyloxy)-1,3-dihydro-1-methyl- [ACD/Index Name]
7-Chlor-5-(2-chlorphenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
7-Chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 7-chloro-5-(2-chlorophényl)-1-méthyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazépin-3-yle [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-6-[[7-chloro-5-(2-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
74140-65-1 [RN]
Lormetazepam Glucuronide
β-D-Glucopyranosiduronic acid, 7-chloro-5-(12-chlorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl

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

Density: 1.7±0.1 g/cm3
Boiling Point: 813.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 445.6±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -2.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 302.2±7.0 cm3

Click to predict properties on the Chemicalize site


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