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

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

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID160100
  • defined stereocentres - 14 of 15 defined stereocentres


More details:






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

(2β,3β,5β,14ξ,22R)-2,5,14,20,22-Pentahydroxy-6-oxocholest-7-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2β,3β,5β,14ξ,22R)-2,5,14,20,22-Pentahydroxy-6-oxocholest-7-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 3-(β-D-glucopyranosyloxy)-2,5,14,20,22-pentahydroxy-, (2β,3β,5β,14ξ,22R)- [ACD/Index Name]
β-D-Glucopyranoside de (2β,3β,5β,14ξ,22R)-2,5,14,20,22-pentahydroxy-6-oxocholest-7-én-3-yle [French] [ACD/IUPAC Name]
109771-11-1 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 852.1±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: 266.1±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: -1.25
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.10
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.10
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

Click to predict properties on the Chemicalize site






Advertisement