(8R)-8-hydroxyhexadecanoic acid
PubChem CID: 15569774
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| Compound Synonyms | (8R)-8-hydroxyhexadecanoic acid, BYP84N7ND4, 8-Hydroxyhexadecanoic acid, (R)-, (R)-(-)-8-Hydroxyhexadecanoic acid, 92842-53-0, UNII-BYP84N7ND4, Hexadecanoic acid, 8-hydroxy-, (8R)-, SCHEMBL2566277 |
|---|---|
| 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 | (8R)-8-hydroxyhexadecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C16H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMEKMXBMYZGGDT-OAHLLOKOSA-N |
| Fcsp3 | 0.9375 |
| Logs | -4.274 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.44 |
| Compound Name | (8R)-8-hydroxyhexadecanoic acid |
| 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 | -4.794610199999998 |
| 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-/m1/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 Aconitum Chasmanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gaillardia Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients