Chemical Properties of Chenodeoxycholic acid, trimethylsilyl ether-methyl ester (CAS 52759-80-5)

Chenodeoxycholic acid, trimethylsilyl ether-methyl ester

InChI
InChI=1S/C31H58O4Si2/c1-21(11-14-28(32)33-4)24-12-13-25-29-26(16-18-31(24,25)3)30(2)17-15-23(34-36(5,6)7)19-22(30)20-27(29)35-37(8,9)10/h21-27,29H,11-20H2,1-10H3/t21-,22+,23-,24-,25+,26+,27-,29+,30+,31-/m0/s1
InChI Key
FUVKOFYYHKWFJK-CPENPXANSA-N
Formula
C31H58O4Si2
SMILES
COC(=O)CCC(C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C
Molecular Weight1
550.96
CAS
52759-80-5
Other Names
  • Chenodeoxycholic acid, methyl ester, TMS
  • Methyl 3-«alpha»,7-«alpha»-dihydroxy-5-«beta»-cholanoate, TMS
  • 3-«alpha»,7-«alpha»-Dihydroxy-5-«beta»-cholanoic acid, MeTMS
  • 3«alpha»,7«alpha»-Dihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether
  • 5-«beta»-Cholanoic acid, 3-«alpha»-7-«alpha»-diydroxy, methyl ester, TMS
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Physical Properties

Property Value Unit Source
log10WS -6.52 Relay (1.0) Calculated Property
logPoct/wat 8.285 Crippen Calculated Property
Inp [3195.00; 3244.00]   Show Hide
Inp 3225.00 NIST
Inp 3216.00 NIST
Inp 3244.00 NIST
Inp 3198.00 NIST
Inp 3195.00 NIST
Inp 3199.00 NIST
Inp 3199.00 NIST
Inp 3225.00 NIST
Inp 3225.00 NIST
I [3624.00; 3624.00]   Show Hide
I 3624.00 NIST
I 3624.00 NIST
Tfus 392.83 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.

Similar Compounds

Isochenodeoxycholic acid, trimethylsilyl ether-methyl ester. allo-Cholanic acid, 3«beta»,7«beta»-dihydroxy, Me-TMS. allo-Cholanic acid, 3«alpha»,7«beta»-dihydroxy, Me-TMS. Ursodeoxycholic acid, trimethylsilyl ether-methyl ester. allo-Cholanic acid, 3«beta»,7«alpha»-dihydroxy, Me-TMS. 3«beta»,7«beta»-Dihydroxy-5«beta»-cholanoic acid, MeTMS. allo-Cholanic acid, 3«alpha»,7«alpha»-dihydroxy, Me-TMS. 3«beta»,7«alpha»-Dihydroxy-5«beta»-cholanoic acid, MeTMS. 5«beta»-cholanoate,3«alpha»,7«alpha»-dihydroxy, methyl ester-trimethylsilyl ether. Cholanoic acid, 3,7-dihydroxy, methyl ester, TMS. 3«alpha»,7«beta»-Dihydroxy-5«beta»-homocholanoic acid, MeTMS. Homochenodeoxycholic acid, trimethylsilyl ether-methyl ester. allo-Cholanic acid, 7«alpha»-hydroxy, Me-TMS. allo-Cholanic acid, 7«beta»-hydroxy, Me-TMS. Cholanic acid, 7«alpha»-hydroxy, Me-TMS.

Find more compounds similar to Chenodeoxycholic acid, trimethylsilyl ether-methyl ester.

Sources

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