ChemSpider 2D Image | 5-[3-(Methylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl beta-D-glucopyranosiduronic acid | C24H30N2O7

5-[3-(Methylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC24H30N2O7
  • Average mass458.504 Da
  • Monoisotopic mass458.205292 Da
  • ChemSpider ID30778581

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-[3-(Methylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-[3-(Methylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 5-[3-(méthylamino)propyl]-10,11-dihydro-5H-dibenzo[b,f]azépin-2-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 10,11-dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepin-2-yl [ACD/Index Name]
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[3-(methylamino)propyl]-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-yl}oxy)oxane-2-carboxylic acid
25521-31-7 [RN]
2-Hydroxy desipramine ?-D-glucuronide
2-Hydroxy-desipramine glucuronide
2-Hydroxydesmethylimipramine Glucuronide
b-D-Glucopyranosiduronic acid,10,11-dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepin-2-yl

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 728.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 394.3±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 119.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.08
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 335.0±3.0 cm3

Click to predict properties on the Chemicalize site


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