ChemSpider 2D Image | (3beta,4beta,5alpha,6beta,15alpha,24S)-4,6,8,15,24-Pentahydroxycholestan-3-yl 2,4-di-O-methyl-beta-D-xylopyranoside | C34H60O10

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

  • Molecular FormulaC34H60O10
  • Average mass628.834 Da
  • Monoisotopic mass628.418640 Da
  • ChemSpider ID10259264

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,4β,5α,6β,15α,24S)-4,6,8,15,24-Pentahydroxycholestan-3-yl 2,4-di-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,4β,5α,6β,15α,24S)-4,6,8,15,24-Pentahydroxycholestan-3-yl-2,4-di-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2,4-Di-O-méthyl-β-D-xylopyranoside de (3β,4β,5α,6β,15α,24S)-4,6,8,15,24-pentahydroxycholestan-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,4β,5α,6β,15α,24S)-4,6,8,15,24-pentahydroxycholestan-3-yl 2,4-di-O-methyl- [ACD/Index Name]
forbeside I
laeviuscoloside H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 407.4±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 165.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.64
ACD/KOC (pH 5.5): 374.47
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.64
ACD/KOC (pH 7.4): 374.47
Polar Surface Area: 158 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 507.3±5.0 cm3

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