ChemSpider 2D Image | (3beta,5alpha,6alpha,7alpha,15alpha,24S)-3,6,7,8,15-Pentahydroxycholestan-24-yl 3-O-methyl-2-O-(4-O-methyl-beta-D-xylopyranosyl)-beta-D-xylopyranoside | C39H68O14

(3β,5α,6α,7α,15α,24S)-3,6,7,8,15-Pentahydroxycholestan-24-yl 3-O-methyl-2-O-(4-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranoside

  • Molecular FormulaC39H68O14
  • Average mass760.949 Da
  • Monoisotopic mass760.460938 Da
  • ChemSpider ID29215967

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,5α,6α,7α,15α,24S)-3,6,7,8,15-Pentahydroxycholestan-24-yl 3-O-methyl-2-O-(4-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5α,6α,7α,15α,24S)-3,6,7,8,15-Pentahydroxycholestan-24-yl-3-O-methyl-2-O-(4-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranosid [German] [ACD/IUPAC Name]
3-O-Méthyl-2-O-(4-O-méthyl-β-D-xylopyranosyl)-β-D-xylopyranoside de (3β,5α,6α,7α,15α,24S)-3,6,7,8,15-pentahydroxycholestan-24-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,5α,6α,7α,15α,24S)-3,6,7,8,15-pentahydroxycholestan-24-yl 3-O-methyl-2-O-(4-O-methyl-β-D-xylopyranosyl)- [ACD/Index Name]
crossasteroside A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 844.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.5±6.0 kJ/mol
Flash Point: 464.4±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: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.72
ACD/KOC (pH 5.5): 150.29
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.72
ACD/KOC (pH 7.4): 150.29
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


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