ChemSpider 2D Image | (3beta,4beta,6alpha,15beta,24S)-3,4,6,8,15-Pentahydroxycholestan-24-yl 2-O-(2,4-di-O-methyl-beta-D-xylopyranosyl)-beta-D-xylofuranoside | C39H68O14

(3β,4β,6α,15β,24S)-3,4,6,8,15-Pentahydroxycholestan-24-yl 2-O-(2,4-di-O-methyl-β-D-xylopyranosyl)-β-D-xylofuranoside

  • Molecular FormulaC39H68O14
  • Average mass760.949 Da
  • Monoisotopic mass760.460938 Da
  • ChemSpider ID9269044

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(3β,4β,6α,15β,24S)-3,4,6,8,15-Pentahydroxycholestan-24-yl 2-O-(2,4-di-O-methyl-β-D-xylopyranosyl)-β-D-xylofuranoside [ACD/IUPAC Name]
(3β,4β,6α,15β,24S)-3,4,6,8,15-Pentahydroxycholestan-24-yl-2-O-(2,4-di-O-methyl-β-D-xylopyranosyl)-β-D-xylofuranosid [German] [ACD/IUPAC Name]
2-O-(2,4-Di-O-méthyl-β-D-xylopyranosyl)-β-D-xylofuranoside de (3β,4β,6α,15β,24S)-3,4,6,8,15-pentahydroxycholestan-24-yle [French] [ACD/IUPAC Name]
β-D-Xylofuranoside, (3β,4β,6α,15β,24S)-3,4,6,8,15-pentahydroxycholestan-24-yl 2-O-(2,4-di-O-methyl-β-D-xylopyranosyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 871.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.8±6.0 kJ/mol
Flash Point: 480.6±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 192.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.66
ACD/KOC (pH 5.5): 189.41
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.66
ACD/KOC (pH 7.4): 189.41
Polar Surface Area: 217 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 577.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement