ChemSpider 2D Image | (5beta,7alpha,12alpha)-7,12-Bis(formyloxy)-3-oxocholan-24-oic acid | C26H38O7

(5β,7α,12α)-7,12-Bis(formyloxy)-3-oxocholan-24-oic acid

  • Molecular FormulaC26H38O7
  • Average mass462.576 Da
  • Monoisotopic mass462.261749 Da
  • ChemSpider ID29364502
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(5β,7α,12α)-7,12-Bis(formyloxy)-3-oxocholan-24-oic acid [ACD/IUPAC Name]
(5β,7α,12α)-7,12-Bis(formyloxy)-3-oxocholan-24-säure [German] [ACD/IUPAC Name]
Acide (5β,7α,12α)-7,12-bis(formyloxy)-3-oxocholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 7,12-bis(formyloxy)-3-oxo-, (5β,7α,12α)- [ACD/Index Name]
300386-87-2 [RN]
3-oxo-7??,12??-diformoxy-5??-cholan-24-oic acid
3-Oxo-7a,12a-diformyloxy-5b-cholanic acid
88674-52-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.0±6.0 kJ/mol
Flash Point: 191.3±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 31.55
ACD/KOC (pH 5.5): 241.71
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.86
Polar Surface Area: 107 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 382.3±5.0 cm3

Click to predict properties on the Chemicalize site






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