ChemSpider 2D Image | Methyl (3alpha,5beta,7alpha,12alpha)-3,7-diacetoxy-12-hydroxycholan-24-oate | C29H46O7

Methyl (3α,5β,7α,12α)-3,7-diacetoxy-12-hydroxycholan-24-oate

  • Molecular FormulaC29H46O7
  • Average mass506.671 Da
  • Monoisotopic mass506.324341 Da
  • ChemSpider ID96700

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5β,7α,12α)-3,7-Diacétoxy-12-hydroxycholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)-
Cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,12α)- [ACD/Index Name]
cholan-24-oic acid, 3,7-bis(acetyloxy)-12-hydroxy-, methyl ester, (3α,5β,7α,8ξ,12α)-
methyl (3α,5β,7α,12α)-3,7-bis(acetyloxy)-12-hydroxycholan-24-oate
Methyl (3α,5β,7α,12α)-3,7-diacetoxy-12-hydroxycholan-24-oate [ACD/IUPAC Name]
Methyl (3α,5β,7α,8ξ,12α)-3,7-diacetoxy-12-hydroxycholan-24-oate
Methyl-(3α,5β,7α,12α)-3,7-diacetoxy-12-hydroxycholan-24-oat [German] [ACD/IUPAC Name]
(3α,5β,7α,12α)-3,7-Bis(acetyloxy)-12-hydroxycholan-24-oic acid methyl ester
(R)-methyl 4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetoxy-12-hydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 171.6±23.6 °C
Index of Refraction: 1.526
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2177.59
ACD/KOC (pH 5.5): 8529.42
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2177.59
ACD/KOC (pH 7.4): 8529.42
Polar Surface Area: 99 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 440.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement