ChemSpider 2D Image | (3alpha,5alpha,7alpha,9xi,13alpha,17alpha,23R,24S)-7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-23,24,25-trihydroxy-8-methylcholest-14-en-3-yl acetate | C38H62O12

(3α,5α,7α,9ξ,13α,17α,23R,24S)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24,25-trihydroxy-8-methylcholest-14-en-3-yl acetate

  • Molecular FormulaC38H62O12
  • Average mass710.892 Da
  • Monoisotopic mass710.424133 Da
  • ChemSpider ID8254039

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(3α,5α,7α,9ξ,13α,17α,23R,24S)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24,25-trihydroxy-8-methylcholest-14-en-3-yl acetate [ACD/IUPAC Name]
(3α,5α,7α,9ξ,13α,17α,23R,24S)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24,25-trihydroxy-8-methylcholest-14-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,5α,7α,9ξ,13α,17α,23R,24S)-7-[(6-O-acétyl-β-D-glucopyranosyl)oxy]-23,24,25-trihydroxy-8-méthylcholest-14-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3α,5α,7α,9ξ,13α,17α,23R,24S)-3-(acetyloxy)-23,24,25-trihydroxy-8-methylcholest-14-en-7-yl, 6-acetate [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: 812.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.4±6.0 kJ/mol
Flash Point: 241.4±27.8 °C
Index of Refraction: 1.573
Molar Refractivity: 183.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 813.59
ACD/KOC (pH 5.5): 4215.70
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 813.58
ACD/KOC (pH 7.4): 4215.66
Polar Surface Area: 192 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 557.2±5.0 cm3

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