ChemSpider 2D Image | (12beta,16beta,22S,25R)-12,16,22-Trihydroxy-3-oxocholest-4-en-27-yl beta-D-glucopyranoside | C33H54O10

(12β,16β,22S,25R)-12,16,22-Trihydroxy-3-oxocholest-4-en-27-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O10
  • Average mass610.776 Da
  • Monoisotopic mass610.371704 Da
  • ChemSpider ID29418054
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(12β,16β,22S,25R)-12,16,22-Trihydroxy-3-oxocholest-4-en-27-yl β-D-glucopyranoside [ACD/IUPAC Name]
(12β,16β,22S,25R)-12,16,22-Trihydroxy-3-oxocholest-4-en-27-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-4-en-3-one, 26-(β-D-glucopyranosyloxy)-12,16,22-trihydroxy-, (12β,16β,22S,25R)- [ACD/Index Name]
β-D-Glucopyranoside de (12β,16β,22S,25R)-12,16,22-trihydroxy-3-oxocholest-4-én-27-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 797.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.2±6.0 kJ/mol
Flash Point: 249.1±26.4 °C
Index of Refraction: 1.596
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.38
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 40.67
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 40.67
Polar Surface Area: 177 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 465.6±5.0 cm3

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