(14S)-14-Methylhexadecanoic acid
PubChem CID: 16039117
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| Compound Synonyms | (S)-14-Methylhexadecanoic acid, (14S)-14-methylhexadecanoic acid, 5746-59-8, C17-Anteiso acid, (S)-14-Methylhexadecanoate, (S)-AC17:0 fatty acid, 14-MHD, SCHEMBL22612525, Ai17:0, (+)-14-Methylhexadecanoic Acid, CHEBI:172082, DTXSID401302514, D-(+)-14-Methylhexadecanoic acid, FA(a-17:0), Q27765290, D0G |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (14S)-14-methylhexadecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C17H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FXUKWLSZZHVEJD-INIZCTEOSA-N |
| Fcsp3 | 0.9411764705882352 |
| Logs | -5.167 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.747 |
| Compound Name | (14S)-14-Methylhexadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.286333399999999 |
| Inchi | InChI=1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)/t16-/m0/s1 |
| Smiles | CC[C@H](C)CCCCCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinus Koraiensis (Plant) Rel Props:Source_db:cmaup_ingredients