ChemSpider 2D Image | Deoxycholate | C24H39O4

Deoxycholate

  • Molecular FormulaC24H39O4
  • Average mass391.565 Da
  • Monoisotopic mass391.285370 Da
  • ChemSpider ID58178393

  • Charge - Charge

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3α,5β,9ξ,12α,17ξ)-3,12-Dihydroxycholan-24-oat [German] [ACD/IUPAC Name]
(3α,5β,9ξ,12α,17ξ)-3,12-Dihydroxycholan-24-oate [ACD/IUPAC Name]
(3α,5β,9ξ,12α,17ξ)-3,12-Dihydroxycholan-24-oate [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,12-dihydroxy-, ion(1-), (3α,5β,9ξ,12α,17ξ)- [ACD/Index Name]
Deoxycholate [Wiki]

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

Density:
Boiling Point: 547.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 298.8±22.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 65.63
ACD/KOC (pH 5.5): 407.43
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 81 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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