Protoconstipatic acid
(2S,3R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
Also Known As: Protoconstipatic acid|Murolic acid|KST-1A9103|J1.362.371F|(2S,3R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid|(2s,3r)-2-[(14s)-14-hydroxypentadecyl]-4-methylidene-5-oxotetrahydrofuran-3-carboxylic acid|3-Furancarboxylic acid,tetrahydro-2-[(14S)-14-hydroxypentadecyl]-4-methylene-5-oxo-, (2S,3R)-|(2S,3R)-2-((14S)-14-hydroxypentadecyl)-4-methylidene-5-oxooxolane-3-carboxylic acid|(2S,3R)-2-[(S)-14-Hydroxypentadecyl]-4-methylene-5-oxotetrahydrofuran-3-carboxylic acid
| Molecular Formula | C21H36O5 |
|---|---|
| Molecular Weight | 368.2563 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 368.2563 |
| Monoisotopic Mass | 368.2563 |
| Heavy Atoms | 26 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 950-86-7 |
|---|---|
| SMILES | C[C@@H](CCCCCCCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O)O |
| InChIKey | UYUDMGMNHAKPEV-YTQUADARSA-N |
Product Overview
Protoconstipatic acid (CAS 950-86-7), with molecular formula C21H36O5 and molecular weight 368.2563 g/mol. IUPAC: (2S,3R)-2-[(14S)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid.