ChemSpider 2D Image | MFCD01074179 | C24H36D4O4

MFCD01074179

  • Molecular FormulaC24H36D4O4
  • Average mass396.597 Da
  • Monoisotopic mass396.317780 Da
  • ChemSpider ID58824370
  • 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,7β)-3,7-Dihydroxycholan-24-oic-2,2,4,4-d4 acid
(3α,5α,7β)-3,7-Dihydroxy(2,2,4,4-2H4)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5α,7β)-3,7-Dihydroxy(2,2,4,4-2H4)cholan-24-säure [German] [ACD/IUPAC Name]
347841-46-7 [RN]
Acide (3α,5α,7β)-3,7-dihydroxy(2,2,4,4-2H4)cholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic-2,2,4,4-d4 acid, 3,7-dihydroxy-, (3α,5α,7β)- [ACD/Index Name]
MFCD01074179
Ursodeoxycholic Acid-d4
(5β)-3α,7β-dihydroxy-cholan-24-oic-2,2,4,4-d4 acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 547.1±25.0 °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±19.7 °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): 2.94
ACD/BCF (pH 5.5): 64.54
ACD/KOC (pH 5.5): 403.10
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 6.44
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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