ChemSpider 2D Image | (3beta,5alpha,6beta)-3-[(4-O-Acetyl-beta-D-arabinopyranosyl)oxy]-5,6-dihydroxycholestan-27-yl acetate | C36H60O10

(3β,5α,6β)-3-[(4-O-Acetyl-β-D-arabinopyranosyl)oxy]-5,6-dihydroxycholestan-27-yl acetate

  • Molecular FormulaC36H60O10
  • Average mass652.856 Da
  • Monoisotopic mass652.418640 Da
  • ChemSpider ID8755522

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(3β,5α,6β)-3-[(4-O-Acetyl-β-D-arabinopyranosyl)oxy]-5,6-dihydroxycholestan-27-yl acetate [ACD/IUPAC Name]
(3β,5α,6β)-3-[(4-O-Acetyl-β-D-arabinopyranosyl)oxy]-5,6-dihydroxycholestan-27-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6β)-3-[(4-O-acétyl-β-D-arabinopyranosyl)oxy]-5,6-dihydroxycholestan-27-yle [French] [ACD/IUPAC Name]
β-D-Arabinopyranoside, (3β,5α,6β)-26-(acetyloxy)-5,6-dihydroxycholestan-3-yl, 4-acetate [ACD/Index Name]
3β-O-(4'-O-acetyl-β-D-arabinopyranoside)-25ε-cholestane-3β,5α,6β,26-tetrol-26-acetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457376/
riisein B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 700.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 206.5±26.4 °C
Index of Refraction: 1.553
Molar Refractivity: 171.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3471.23
ACD/KOC (pH 5.5): 11908.93
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3471.21
ACD/KOC (pH 7.4): 11908.86
Polar Surface Area: 152 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 536.6±5.0 cm3

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