Chemical Properties of 3«beta»-Hydroxy-7«beta»-methoxycholanic acid, methyl ester, TMS

InChI

InChI=1S/C29H52O4Si/c1-19(9-12-26(30)32-5)22-10-11-23-27-24(14-16-29(22,23)3)28(2)15-13-21(33-34(6,7)8)17-20(28)18-25(27)31-4/h19-25,27H,9-18H2,1-8H3/t19-,20?,21+,22-,23+,24+,25+,27+,28+,29-/m0/s1

InChI Key

JBDNEAGIZQUFGR-FOSJPWCMSA-N

Formula

C29H52O4Si

SMILES

COC(=O)CCC(C)C1CCC2C3C(OC)CC4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C

Molecular Weight¹

492.81

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Similar Compounds

Find more compounds similar to 3«beta»-Hydroxy-7«beta»-methoxycholanic acid, methyl ester, TMS.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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