ChemSpider 2D Image | (3beta,5alpha)-6-Oxo-3-(beta-D-xylopyranosyloxy)cholestan-26-yl acetate | C34H56O8

(3β,5α)-6-Oxo-3-(β-D-xylopyranosyloxy)cholestan-26-yl acetate

  • Molecular FormulaC34H56O8
  • Average mass592.804 Da
  • Monoisotopic mass592.397522 Da
  • ChemSpider ID29214220
  • defined stereocentres - 13 of 14 defined stereocentres


More details:






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

(3β,5α)-6-Oxo-3-(β-D-xylopyranosyloxy)cholestan-26-yl acetate [ACD/IUPAC Name]
(3β,5α)-6-Oxo-3-(β-D-xylopyranosyloxy)cholestan-26-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α)-6-oxo-3-(β-D-xylopyranosyloxy)cholestan-26-yle [French] [ACD/IUPAC Name]
Cholestan-6-one, 26-(acetyloxy)-3-(β-D-xylopyranosyloxy)-, (3β,5α)- [ACD/Index Name]
auroside

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 205.6±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 159.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3668.78
ACD/KOC (pH 5.5): 12390.21
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3668.76
ACD/KOC (pH 7.4): 12390.14
Polar Surface Area: 123 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 501.1±5.0 cm3

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