ChemSpider 2D Image | TRIACETOXYCHOLIC ACID | C30H46O8

TRIACETOXYCHOLIC ACID

  • Molecular FormulaC30H46O8
  • Average mass534.681 Da
  • Monoisotopic mass534.319275 Da
  • ChemSpider ID10375016
  • 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-Triacetoxycholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,7α,12α)-3,7,12-Triacetoxycholan-24-säure [German] [ACD/IUPAC Name]
52840-09-2 [RN]
Acide (3α,5β,7α,12α)-3,7,12-triacétoxycholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, (3α,5β,7α,12α)- [ACD/Index Name]
Cholic acid, triacetate
TRIACETOXYCHOLIC ACID
3a,7a,12a-triacetoxy-5ß-cholanic acid

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

JFJ4AC471J [DBID]
UNII:JFJ4AC471J [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 603.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 185.6±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 698.14
ACD/KOC (pH 5.5): 2218.71
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 11.15
ACD/KOC (pH 7.4): 35.45
Polar Surface Area: 116 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 452.9±5.0 cm3

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