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

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxy-6-oxocholest-7-en-25-yl β-D-glucopyranoside

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID9214686
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxy-6-oxocholest-7-en-25-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxy-6-oxocholest-7-en-25-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 25-(β-D-glucopyranosyloxy)-2,3,14,20,22-pentahydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (2β,3β,5β,22R)-2,3,14,20,22-pentahydroxy-6-oxocholest-7-én-25-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: 852.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.8±6.0 kJ/mol
Flash Point: 266.2±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.31
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.08
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.08
Polar Surface Area: 218 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 459.3±5.0 cm3

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