ChemSpider 2D Image | 5-{3-[(~2~H_3_)Methylamino]propyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl beta-D-glucopyranosiduronic acid | C24H27D3N2O7

5-{3-[(2H3)Methylamino]propyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC24H27D3N2O7
  • Average mass461.523 Da
  • Monoisotopic mass461.224121 Da
  • ChemSpider ID107441629

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

5-{3-[(2H3)Methylamino]propyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-{3-[(2H3)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-[(2H3)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-(methyl-d3-amino)propyl]-5H-dibenz[b,f]azepin-2-yl [ACD/Index Name]

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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