ChemSpider 2D Image | MFCD00209701 | C24H36D4O5

MFCD00209701

  • Molecular FormulaC24H36D4O5
  • Average mass412.596 Da
  • Monoisotopic mass412.312683 Da
  • ChemSpider ID17345133
  • defined stereocentres - 11 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3α,5β,7α,12α)-3,7,12-Trihydroxy(2,2,4,4-2H4)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,7α,12α)-3,7,12-Trihydroxy(2,2,4,4-2H4)cholan-24-säure [German] [ACD/IUPAC Name]
116380-66-6 [RN]
3α,7α,12α-Trihydroxy-5β-cholanic acid-D4
Acide (3α,5β,7α,12α)-3,7,12-trihydroxy(2,2,4,4-2H4)cholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic-2,2,4,4-d4 acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)- [ACD/Index Name]
Cholic acid-2,2,4,4-d4
Cholic Acid-d4
Deuterated cholanic acid
Deuterated cholic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

614149_ALDRICH [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: 583.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 321.0±26.6 °C
Index of Refraction: 1.558
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 3.58
ACD/KOC (pH 5.5): 50.79
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 344.8±3.0 cm3

Click to predict properties on the Chemicalize site






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