ChemSpider 2D Image | 5-[Hydroxy(imino)methyl]-5H-dibenzo[b,f]azepin-10-yl L-glucopyranosiduronic acid | C21H20N2O8

5-[Hydroxy(imino)methyl]-5H-dibenzo[b,f]azepin-10-yl L-glucopyranosiduronic acid

  • Molecular FormulaC21H20N2O8
  • Average mass428.392 Da
  • Monoisotopic mass428.121979 Da
  • ChemSpider ID57262526

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

5-[Hydroxy(imino)methyl]-5H-dibenzo[b,f]azepin-10-yl L-glucopyranosiduronic acid [ACD/IUPAC Name]
5-[Hydroxy(imino)methyl]-5H-dibenzo[b,f]azepin-10-yl-L-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
5H-Dibenz[b,f]azepine-5-carboximidic acid, 10-(L-glucopyranuronosyloxy)- [ACD/Index Name]
Acide L-glucopyranosiduronique de 5-[hydroxy(imino)méthyl]-5H-dibenzo[b,f]azépin-10-yle [French] [ACD/IUPAC Name]
OXCARBAZEPINE-D-GLUCURONIDE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 752.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 408.6±35.7 °C
Index of Refraction: 1.720
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 72.2±7.0 dyne/cm
Molar Volume: 260.6±7.0 cm3

Click to predict properties on the Chemicalize site


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