ChemSpider 2D Image | 7-Chloro-8-hydroxy-5-[3-(methylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-1-yl beta-D-glucopyranosiduronic acid | C24H29ClN2O8

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

  • Molecular FormulaC24H29ClN2O8
  • Average mass508.949 Da
  • Monoisotopic mass508.161255 Da
  • ChemSpider ID59695377

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

7-Chlor-8-hydroxy-5-[3-(methylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-1-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
7-Chloro-8-hydroxy-5-[3-(methylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-1-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 7-chloro-8-hydroxy-5-[3-(méthylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azépin-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 7-chloro-10,11-dihydro-8-hydroxy-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepin-1-yl [ACD/Index Name]
2-hydroxydesmethyl clomipramine 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: 802.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 439.1±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 345.4±3.0 cm3

Click to predict properties on the Chemicalize site


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