ChemSpider 2D Image | 7-Chloro-5-[3-(dimethylamino)propyl]-8-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepin-1-yl beta-D-glucopyranosiduronic acid | C25H31ClN2O8

7-Chloro-5-[3-(dimethylamino)propyl]-8-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepin-1-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC25H31ClN2O8
  • Average mass522.975 Da
  • Monoisotopic mass522.176880 Da
  • ChemSpider ID59695378

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

7-Chlor-5-[3-(dimethylamino)propyl]-8-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepin-1-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
7-Chloro-5-[3-(dimethylamino)propyl]-8-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepin-1-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 7-chloro-5-[3-(diméthylamino)propyl]-8-hydroxy-10,11-dihydro-5H-dibenzo[b,f]azépin-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 7-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-8-hydroxy-5H-dibenz[b,f]azepin-1-yl [ACD/Index Name]
2-hydroxyclomipramine glucuronide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 786.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.3±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 360.4±3.0 cm3

Click to predict properties on the Chemicalize site


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