ChemSpider 2D Image | (3alpha,5alpha,7alpha,9xi,13alpha,17alpha,23R,24S)-7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-23,24-dihydroxy-25-methoxy-8-methylcholest-14-en-3-yl acetate | C39H64O12

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

  • Molecular FormulaC39H64O12
  • Average mass724.918 Da
  • Monoisotopic mass724.439758 Da
  • ChemSpider ID8615314

  • 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-dihydroxy-25-methoxy-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-dihydroxy-25-methoxy-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-dihydroxy-25-méthoxy-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-dihydroxy-25-methoxy-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: 1.2±0.1 g/cm3
Boiling Point: 800.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.5±6.0 kJ/mol
Flash Point: 235.1±27.8 °C
Index of Refraction: 1.561
Molar Refractivity: 188.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3762.51
ACD/KOC (pH 5.5): 12615.97
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3762.47
ACD/KOC (pH 7.4): 12615.86
Polar Surface Area: 181 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 581.9±5.0 cm3

Click to predict properties on the Chemicalize site


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