ChemSpider 2D Image | (2beta,3beta,9xi,22R)-2,3,14,25-Tetrahydroxy-6-oxocholest-7-en-22-yl L-glucopyranoside | C33H54O11

(2β,3β,9ξ,22R)-2,3,14,25-Tetrahydroxy-6-oxocholest-7-en-22-yl L-glucopyranoside

  • Molecular FormulaC33H54O11
  • Average mass626.775 Da
  • Monoisotopic mass626.366638 Da
  • ChemSpider ID9471560

  • defined stereocentres - 12 of 15 defined stereocentres

More details:

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

(2β,3β,9ξ,22R)-2,3,14,25-Tetrahydroxy-6-oxocholest-7-en-22-yl L-glucopyranoside [ACD/IUPAC Name]
(2β,3β,9ξ,22R)-2,3,14,25-Tetrahydroxy-6-oxocholest-7-en-22-yl-L-glucopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 22-(L-glucopyranosyloxy)-2,3,14,25-tetrahydroxy-, (2β,3β,9ξ,22R)- [ACD/Index Name]
L-Glucopyranoside de (2β,3β,9ξ,22R)-2,3,14,25-tétrahydroxy-6-oxocholest-7-én-22-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 807.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.6±6.0 kJ/mol
Flash Point: 251.3±27.8 °C
Index of Refraction: 1.608
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.41
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.41
Polar Surface Area: 197 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 462.3±5.0 cm3

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