ChemSpider 2D Image | 4-O-beta-D-Galactopyranosyl-N-{2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}-N-propyl-beta-D-glucopyranosylamine | C33H47NO13

4-O-β-D-Galactopyranosyl-N-{2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}-N-propyl-β-D-glucopyranosylamine

  • Molecular FormulaC33H47NO13
  • Average mass665.725 Da
  • Monoisotopic mass665.304749 Da
  • ChemSpider ID107444644

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

4-O-β-D-Galactopyranosyl-N-{2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}-N-propyl-β-D-glucopyranosylamin [German] [ACD/IUPAC Name]
4-O-β-D-Galactopyranosyl-N-{2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl}-N-propyl-β-D-glucopyranosylamine [ACD/IUPAC Name]
4-O-β-D-Galactopyranosyl-N-{2-hydroxy-3-[2-(3-phénylpropanoyl)phénoxy]propyl}-N-propyl-β-D-glucopyranosylamine [French] [ACD/IUPAC Name]
β-D-Glucopyranosylamine, 4-O-β-D-galactopyranosyl-N-[2-hydroxy-3-[2-(1-oxo-3-phenylpropyl)phenoxy]propyl]-N-propyl- [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: 927.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 514.7±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 167.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.13
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.73
Polar Surface Area: 219 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 79.0±5.0 dyne/cm
Molar Volume: 464.5±5.0 cm3

Click to predict properties on the Chemicalize site


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