ChemSpider 2D Image | URSODIOL-D4 | C24H36D4O4

URSODIOL-D4

  • Molecular FormulaC24H36D4O4
  • Average mass396.597 Da
  • Monoisotopic mass396.317780 Da
  • ChemSpider ID17345132

  • 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,7α)-3,7-Dihydroxy(2,2,4,4-2H4)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5β,7α)-3,7-Dihydroxy(2,2,4,4-2H4)cholan-24-säure [German] [ACD/IUPAC Name]
99102-69-9 [RN]
Acide (3α,5β,7α)-3,7-dihydroxy(2,2,4,4-2H4)cholan-24-oïque [French] [ACD/IUPAC Name]
Chenodeoxycholic acid-2,2,4,4-d4
Chenodeoxycholic Acid-d4
Cholan-24-oic-2,2,4,4-d4 acid, 3,7-dihydroxy-, (3α,5β,7α)- [ACD/Index Name]
MFCD00190400
URSODIOL-D4
(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

614122_ALDRICH [DBID]

    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±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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