ChemSpider 2D Image | (3beta,5beta,22R)-3,14,25-Trihydroxy-6-oxocholest-7-en-22-yl beta-D-glucopyranoside | C33H54O10

(3β,5β,22R)-3,14,25-Trihydroxy-6-oxocholest-7-en-22-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O10
  • Average mass610.776 Da
  • Monoisotopic mass610.371704 Da
  • ChemSpider ID9494429
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(3β,5β,22R)-3,14,25-Trihydroxy-6-oxocholest-7-en-22-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,22R)-3,14,25-Trihydroxy-6-oxocholest-7-en-22-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 22-(β-D-glucopyranosyloxy)-3,14,25-trihydroxy-, (3β,5β,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,5β,22R)-3,14,25-trihydroxy-6-oxocholest-7-én-22-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: 791.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±6.0 kJ/mol
Flash Point: 246.7±26.4 °C
Index of Refraction: 1.598
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.06
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 44.13
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 44.13
Polar Surface Area: 177 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 464.5±5.0 cm3

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