ChemSpider 2D Image | MFCD00209707 | C24H36D4O4

MFCD00209707

  • Molecular FormulaC24H36D4O4
  • Average mass396.597 Da
  • Monoisotopic mass396.317780 Da
  • ChemSpider ID32820972

  • defined stereocentres - 10 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α,5β,12α)-3,12-Dihydroxy(2,2,4,4-2H4)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,12α)-3,12-Dihydroxy(2,2,4,4-2H4)cholan-24-säure [German] [ACD/IUPAC Name]
112076-61-6 [RN]
3a,12a-Dihydroxy-5??-cholanic acid-2,2,4,4-d4
7-Deoxycholic acid,-2,2,4,4-d4
Acide (3α,5β,12α)-3,12-dihydroxy(2,2,4,4-2H4)cholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic-2,2,4,4-d4 acid, 3,12-dihydroxy-, (3α,5β,12α)- [ACD/Index Name]
DEOXYCHOLIC ACID-2,2,4,4-D4
Deoxycholic Acid-d4
Deoxycholic-2,2,4,4-d4 Acid
More...

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

Density: 1.1±0.1 g/cm3
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: 1.543
Molar Refractivity: 109.7±0.3 cm3
#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: 78 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 347.9±3.0 cm3

Click to predict properties on the Chemicalize site


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