ChemSpider 2D Image | MFCD08702893 | C24H35D5O4

MFCD08702893

  • Molecular FormulaC24H35D5O4
  • Average mass397.603 Da
  • Monoisotopic mass397.324036 Da
  • ChemSpider ID48063720

  • 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,5α,7α)-3,7-Dihydroxy(2,2,3,4,4-2H5)cholan-24-oic acid [ACD/IUPAC Name]
(3α,5α,7α)-3,7-Dihydroxy(2,2,3,4,4-2H5)cholan-24-säure [German] [ACD/IUPAC Name]
Acide (3α,5α,7α)-3,7-dihydroxy(2,2,3,4,4-2H5)cholan-24-oïque [French] [ACD/IUPAC Name]
CHENODEOXYCHOLIC-2,2,3,4,4-D5 ACID
Cholan-24-oic-2,2,3,4,4-d5 acid, 3,7-dihydroxy-, (3α,5α,7α)- [ACD/Index Name]
MFCD08702893
(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
52840-12-7 [RN]
CHENODEOXYCHOLIC ACID (2,2,3,4,4-D5, 98%)
Chenodeoxycholic Acid-d5 (Major)
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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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