3-Hydroxydecanoic acid, (3S)-
PubChem CID: 5312799
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| Compound Synonyms | (3S)-3-hydroxydecanoic acid, 19526-23-9, 3-Hydroxydecanoic acid, (3S)-, L-3-Hydroxydecanoic acid, L-beta-Hydroxydecanoic acid, (S)-3-hydroxydecanoic acid, 3S-Hydroxycapric acid, (+)-3-Hydroxydecanoic acid, 8RTV92F10E, 3-Hydroxydecanoic acid, (+)-, 3S-hydroxy-decanoic acid, S-3-Hydroxydecanoic acid, Decanoic acid, 3-hydroxy-, (3S)-, Decanoic acid, 3-hydroxy-, L-, (3~{s})-3-Oxidanyldecanoic Acid, Decanoic acid, 3-hydroxy-, (S)-, L-.BETA.-HYDROXYDECANOIC ACID, Beta-hydroxydecanoate, 5UF, 3-hydroxy-decanoate, (+/-)3-hydroxy-decanoate, UNII-8RTV92F10E, SCHEMBL4916940, (+/-)3-hydroxy-decanoic acid, CHEBI:37371, FYSSBMZUBSBFJL-VIFPVBQESA-N, Myrmicacin, 3-hydroxydecanoic acid, LMFA01050246, 10:0(3-OH), EN300-6494146, Q27117121, 829-219-7 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-hydroxydecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FYSSBMZUBSBFJL-VIFPVBQESA-N |
| Fcsp3 | 0.9 |
| Logs | -2.08 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.262 |
| Compound Name | 3-Hydroxydecanoic acid, (3S)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 188.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 188.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0668554 |
| Inchi | InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1 |
| Smiles | CCCCCCC[C@@H](CC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients