ChemSpider 2D Image | Ethyl (3alpha,7alpha,12alpha)-3,7-diacetoxy-12-hydroxycholan-24-oate | C30H48O7

Ethyl (3α,7α,12α)-3,7-diacetoxy-12-hydroxycholan-24-oate

  • Molecular FormulaC30H48O7
  • Average mass520.698 Da
  • Monoisotopic mass520.340027 Da
  • ChemSpider ID21474837

  • defined stereocentres - 3 of 11 defined stereocentres

More details:

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

(3α,7α,12α)-3,7-Diacétoxy-12-hydroxycholan-24-oate d'éthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, ethyl ester, (3α,7α,12α)- [ACD/Index Name]
Ethyl (3α,7α,12α)-3,7-diacetoxy-12-hydroxycholan-24-oate [ACD/IUPAC Name]
Ethyl-(3α,7α,12α)-3,7-diacetoxy-12-hydroxycholan-24-oat [German] [ACD/IUPAC Name]
ethyl 4-((16S,5R,9R)-5,9-diacetyloxy-16-hydroxy-2,15-dimethyltetracyclo[8.7.0. 0<2,7>.0<11,15>]heptadec-14-yl)pentanoate
ethyl 4-((16S,5R,9R)-5,9-diacetyloxy-16-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 572.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 173.5±23.6 °C
Index of Refraction: 1.525
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4274.95
ACD/KOC (pH 5.5): 13823.36
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4274.95
ACD/KOC (pH 7.4): 13823.36
Polar Surface Area: 99 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 456.2±5.0 cm3

Click to predict properties on the Chemicalize site


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