Chemical Properties of 3Beta,7beta,12beta-trihydroxy-5beta-cholan-24-oic acid (CAS 81873-90-7)

3Beta,7beta,12beta-trihydroxy-5beta-cholan-24-oic acid

InChI
InChI=1S/C25H42O5/c1-14(5-8-21(29)30)16-6-7-17-22-18(11-20(28)25(16,17)4)24(3)10-9-15(26)12-23(24,2)13-19(22)27/h14-20,22,26-28H,5-13H2,1-4H3,(H,29,30)/t14-,15+,16-,17+,18+,19+,20-,22+,23+,24-,25-/m0/s1
InChI Key
ZSNMWSXGJNFSAV-CSFDPCLMSA-N
Formula
C24H40O5
SMILES
CC(CCC(=O)O)C1CCC2C3C(O)CC4(C)CC(O)CCC4(C)C3CC(O)C12C
Molecular Weight1
408.57
CAS
81873-90-7
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Physical Properties

Property Value Unit Source
ΔfusH° 44.51 kJ/mol Joback Calculated Property
log10WS -3.87 Relay (1.0) Calculated Property
logPoct/wat 3.839 Crippen Calculated Property
McVol 344.720 ml/mol McGowan Calculated Property
Tfus 480.68 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1596.14; 2155.56] J/mol×K [1214.56; 1518.63] Show Hide
Cp,gas 1596.14 J/mol×K 1214.56 Joback Calculated Property
Cp,gas 1666.32 J/mol×K 1265.24 Joback Calculated Property
Cp,gas 1744.38 J/mol×K 1315.92 Joback Calculated Property
Cp,gas 1831.33 J/mol×K 1366.59 Joback Calculated Property
Cp,gas 1928.17 J/mol×K 1417.27 Joback Calculated Property
Cp,gas 2035.91 J/mol×K 1467.95 Joback Calculated Property
Cp,gas 2155.56 J/mol×K 1518.63 Joback Calculated Property

Similar Compounds

Cholic acid. 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Methyl-3beta,7beta,12beta-trihydroxy-5beta-cholan-24-oate. Methyl cholate. allo-Cholanic (5«alpha») acid, methyl ester. 4-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid. Lithocholic acid. 5«alpha»-Cholan-24-oic acid, 7«alpha»,12«alpha»-dihydroxy-3-oxo-, methyl ester. Allopregnane-3«alpha»,20«alpha»-diol. Pregnane-3,20-diol, (3«alpha»,5«beta»)-. 5«alpha»-Pregnan-3«beta»,20«beta»-diol. 5«beta»-Pregnan-3«beta»,20«beta»-diol. 5«beta»-Pregnan-3«beta»,20«alpha»-diol. Pregnane-3,20-diol, (3«alpha»,5«beta»,20S)-.

Find more compounds similar to 3Beta,7beta,12beta-trihydroxy-5beta-cholan-24-oic acid.

Sources

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