ChemSpider 2D Image | 3,7,12-Triacetoxycholan-24-oic acid | C30H46O8

3,7,12-Triacetoxycholan-24-oic acid

  • Molecular FormulaC30H46O8
  • Average mass534.681 Da
  • Monoisotopic mass534.319275 Da
  • ChemSpider ID470914

More details:

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

3,7,12-Triacetoxycholan-24-oic acid [ACD/IUPAC Name]
3,7,12-Triacetoxycholan-24-säure [German] [ACD/IUPAC Name]
Acide 3,7,12-triacétoxycholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,7,12-tris(acetyloxy)- [ACD/Index Name]
3,7,12-Tris(acetyloxy)cholan-24-oic acid
4-(5,9,16-triacetyloxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid
Cholic acid, triacetate

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

BAS 00486210 [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: 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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