ChemSpider 2D Image | 3-[2-(beta-D-Galactopyranuronosyloxy)-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl]-N-methyl-1-propanaminium | C24H30N2O7

3-[2-(β-D-Galactopyranuronosyloxy)-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl]-N-methyl-1-propanaminium

  • Molecular FormulaC24H30N2O7
  • Average mass458.504 Da
  • Monoisotopic mass458.205292 Da
  • ChemSpider ID62363100

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-[2-(β-D-Galactopyranuronosyloxy)-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl]-N-methyl-1-propanaminium [German] [ACD/IUPAC Name]
3-[2-(β-D-Galactopyranuronosyloxy)-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl]-N-methyl-1-propanaminium [ACD/IUPAC Name]
3-[2-(β-D-Galactopyranuronosyloxy)-10,11-dihydro-5H-dibenzo[b,f]azépin-5-yl]-N-méthyl-1-propanaminium [French] [ACD/IUPAC Name]
5H-Dibenz[b,f]azepine-5-propanaminium, 2-(β-D-galactopyranuronosyloxy)-10,11-dihydro-N-methyl-, inner salt [ACD/Index Name]

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

Density:
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:
Molar Refractivity:
#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: 139 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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