Hexadecanoic acid, 8-hydroxy-, (S)-
PubChem CID: 5312819
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| Compound Synonyms | Hexadecanoic acid, 8-hydroxy-, (S)-, (8S)-8-hydroxyhexadecanoic acid, 8S-hydroxy-hexadecanoic acid, Hexadecanoic acid, 8-hydroxy-, (+)-, CF03HXG7KF, 2777-50-6, 8-Hydroxyhexadecanoic acid, (S)-, UNII-CF03HXG7KF, Hexadecanoic acid, 8-hydroxy-, (8S)-, SCHEMBL2566066, DTXSID50415605, CHEBI:187997, LMFA01050266 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8S)-8-hydroxyhexadecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C16H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMEKMXBMYZGGDT-HNNXBMFYSA-N |
| Fcsp3 | 0.9375 |
| Logs | -3.753 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.632 |
| Compound Name | Hexadecanoic acid, 8-hydroxy-, (S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 272.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.950359799999999 |
| Inchi | InChI=1S/C16H32O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1 |
| Smiles | CCCCCCCC[C@@H](CCCCCCC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asplenium Normale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brucea Javanica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Carpobrotus Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Castanea Crenata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Centrolobium Tomentosum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ceratophyllum Submersum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Dracocephalum Kotschyi (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Lippia Carviodora (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Myrica Nana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Psilostrophe Cooperi (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Sideritis Tragoriganum (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Solanum Jamaicense (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Trifolium Alexandrinum (Plant) Rel Props:Source_db:cmaup_ingredients