methyl (S)-3-hydroxypalmitate
PubChem CID: 12201888
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| Compound Synonyms | methyl (S)-3-hydroxypalmitate, methyl (3S)-3-hydroxyhexadecanoate, 76898-45-8, Methyl (S)-3-hydroxyhexadecanoate, (3S)-3-Hydroxy-hexadecanoic Acid Methyl Ester, (S)-3-Hydroxy-hexadecanoic Acid Methyl Ester, starbld0037857, SCHEMBL8177768, CHEBI:38246, YBTWUESFQWFDMR-INIZCTEOSA-N, (S)-Methyl 3-hydroxyhexadecanoate, Q27117426 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (3S)-3-hydroxyhexadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 6.1 |
| Molecular Formula | C17H34O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YBTWUESFQWFDMR-INIZCTEOSA-N |
| Fcsp3 | 0.9411764705882352 |
| Logs | -5.473 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.975 |
| Compound Name | methyl (S)-3-hydroxypalmitate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 286.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.469027199999999 |
| Inchi | InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3/t16-/m0/s1 |
| Smiles | CCCCCCCCCCCCC[C@@H](CC(=O)OC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients