ChemSpider 2D Image | Methyl (3alpha,5beta,7alpha,12alpha)-3,7,12-tris(formyloxy)cholan-24-oate | C28H42O8

Methyl (3α,5β,7α,12α)-3,7,12-tris(formyloxy)cholan-24-oate

  • Molecular FormulaC28H42O8
  • Average mass506.628 Da
  • Monoisotopic mass506.287964 Da
  • ChemSpider ID8499403

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,5β,7α,12α)-3,7,12-Tris(formyloxy)cholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,7,12-tris(formyloxy)-, methyl ester, (3α,5β,7α,12α)- [ACD/Index Name]
Methyl (3α,5β,7α,12α)-3,7,12-tris(formyloxy)cholan-24-oate [ACD/IUPAC Name]
Methyl-(3α,5β,7α,12α)-3,7,12-tris(formyloxy)cholan-24-oat [German] [ACD/IUPAC Name]

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

ZINC08382445 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 558.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 233.8±30.2 °C
Index of Refraction: 1.524
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1360.95
ACD/KOC (pH 5.5): 6092.59
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1360.95
ACD/KOC (pH 7.4): 6092.59
Polar Surface Area: 105 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 429.9±5.0 cm3

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