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

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

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID170028
  • defined stereocentres - 14 of 15 defined stereocentres


More details:






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

(2α,3β,5β,14ξ,22R)-2,3,14,20,25-Pentahydroxy-6-oxocholest-7-en-22-yl α-D-galactopyranoside [ACD/IUPAC Name]
(2α,3β,5β,14ξ,22R)-2,3,14,20,25-Pentahydroxy-6-oxocholest-7-en-22-yl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 22-(α-D-galactopyranosyloxy)-2,3,14,20,25-pentahydroxy-, (2α,3β,5β,14ξ,22R)- [ACD/Index Name]
α-D-Galactopyranoside de (2α,3β,5β,14ξ,22R)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-én-22-yle [French] [ACD/IUPAC Name]
81655-86-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 873.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.2±6.0 kJ/mol
Flash Point: 273.4±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: -1.97
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.23
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.23
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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