- InChI
- InChI=1S/C31H58O4Si2/c1-21(11-14-29(32)33-4)24-12-13-25-23-20-28(35-37(8,9)10)27-19-22(34-36(5,6)7)15-17-31(27,3)26(23)16-18-30(24,25)2/h21-28H,11-20H2,1-10H3/t21?,22-,23?,24?,25?,26?,27+,28+,30?,31?/m0/s1
- InChI Key
- FYDBJLGZNQLQEL-HEEYYOORSA-N
- Formula
- C31H58O4Si2
- SMILES
-
COC(=O)CCC(C)C1CCC2C3CC(O[Si](
C)(C)C)C4CC(O[Si](C)(C)C)CCC4( C)C3CCC12C - Molecular Weight1
- 550.96
- Other Names
-
- 3«alpha»,6«alpha»-Dihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether
- 5-«beta»-Cholanoic acid, 3-«alpha»-6-«alpha»-dihydroxy, methyl ester, TMS
- Hyodeoxycholic acid, trimethyl ether-methyl ester
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 8.285 | Crippen Calculated Property | |
| Inp | [3224.00; 3282.00] |
|
|
| Inp | 3256.00 | NIST | |
| Inp | 3282.00 | NIST | |
| Inp | 3256.00 | NIST | |
| Inp | 3224.00 | NIST | |
| Inp | 3224.00 | NIST | |
| Inp | 3224.00 | NIST |
Similar Compounds
Find more compounds similar to 3-«alpha»,6-«alpha»-Dihydroxy-5-«beta»-cholanoic acid, MeTMS.
Sources
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