ChemSpider 2D Image | Methyl (3alpha,5alpha,6beta)-6-hydroxy-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]cholan-24-oate | C39H60O13

Methyl (3α,5α,6β)-6-hydroxy-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cholan-24-oate

  • Molecular FormulaC39H60O13
  • Average mass736.886 Da
  • Monoisotopic mass736.403381 Da
  • ChemSpider ID8615395

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3α,5α,6β)-6-Hydroxy-3-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]cholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 6-hydroxy-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, methyl ester, (3α,5α,6β)- [ACD/Index Name]
Methyl (3α,5α,6β)-6-hydroxy-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cholan-24-oate [ACD/IUPAC Name]
Methyl-(3α,5α,6β)-6-hydroxy-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]cholan-24-oat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 206.6±26.4 °C
Index of Refraction: 1.533
Molar Refractivity: 186.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29735.53
ACD/KOC (pH 5.5): 55405.84
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29735.53
ACD/KOC (pH 7.4): 55405.84
Polar Surface Area: 170 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 601.2±5.0 cm3

Click to predict properties on the Chemicalize site


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