ChemSpider 2D Image | (3beta,5beta,22R)-5,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-3-yl beta-D-glucopyranoside | C33H54O12

(3β,5β,22R)-5,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID9642695
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(3β,5β,22R)-5,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5β,22R)-5,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 3-(β-D-glucopyranosyloxy)-5,14,20,22,25-pentahydroxy-, (3β,5β,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,5β,22R)-5,14,20,22,25-pentahydroxy-6-oxocholest-7-én-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 877.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.8±6.0 kJ/mol
Flash Point: 274.7±27.8 °C
Index of Refraction: 1.623
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.71
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.14
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.14
Polar Surface Area: 218 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 458.5±5.0 cm3

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