Chemical Properties of 3-«alpha»,6-«alpha»,7-«beta»-Trihydroxy-5-«beta»-cholic acid, methyl ester, TMS

3-«alpha»,6-«alpha»,7-«beta»-Trihydroxy-5-«beta»-cholic acid, methyl ester, TMS

InChI
InChI=1S/C34H66O5Si3/c1-23(14-17-29(35)36-4)25-15-16-26-30-27(19-21-33(25,26)2)34(3)20-18-24(37-40(5,6)7)22-28(34)31(38-41(8,9)10)32(30)39-42(11,12)13/h23-28,30-32H,14-22H2,1-13H3/t23-,24-,25?,26?,27?,28?,30?,31-,32-,33-,34-/m0/s1
InChI Key
MPBUWUAYSDIDGN-CQAQCTJOSA-N
Formula
C34H66O5Si3
SMILES
COC(=O)CCC(C)C1CCC2C3C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C
Molecular Weight1
639.14
Other Names
  • 3«alpha»,6«alpha»,7«beta»-Trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether
  • 3«alpha»,6«alpha»,7«beta»-Trihydroxy-5«beta»-cholanoic acid, MeTMS
  • «omega»-Muricholic acid, trimethyl ether-methyl ester
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
log10WS -6.81 Relay (1.0) Calculated Property
logPoct/wat 9.115 Crippen Calculated Property
Inp [3428.00; 3483.00]   Show Hide
Inp 3453.00 NIST
Inp 3483.00 NIST
Inp 3453.00 NIST
Inp 3428.00 NIST
Inp 3428.00 NIST
Inp 3453.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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

Hyocholic acid, trimethyl ether-methyl ester. «alpha»-Muricholic acid, trimethyl ether-methyl ester. Cholanic acid, 3«alpha»,6«alpha»,7«alpha»-trihydroxy, Me-TMS. 3«alpha»,6«beta»,7«beta»-Trihydroxy-5«beta»-cholanoic acid, MeTMS. 3-«alpha»,4-«xi»,7-«beta»-Trihydroxy-5-«beta»-cholic acid, methyl ester, TMS. 3«beta»,4«beta», 7«alpha»-trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«alpha»,4«beta», 7«alpha»-trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,7-«alpha»-trihydroxy, methyl ester, TMS. 3«alpha»,4«beta»-dihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«beta»,4«beta»-dihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«alpha»,6«beta»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, trimethylsilyl ether-methyl ester. 3«alpha»,6«alpha»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether. 3«alpha»,6«beta»,7«alpha»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether.

Find more compounds similar to 3-«alpha»,6-«alpha»,7-«beta»-Trihydroxy-5-«beta»-cholic acid, methyl ester, TMS.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.