(9S,10R)-9,10,16-trihydroxyhexadecanoic acid
PubChem CID: 7269316
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| Compound Synonyms | Aleuritic acid, DTXSID10878090, 9,10,16-Trihydroxypalmitic acid, SCHEMBL284713, MEHUJCGAYMDLEL-LSDHHAIUSA-N, AKOS015892946, A1293, Q4716536 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (9S,10R)-9,10,16-trihydroxyhexadecanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H32O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MEHUJCGAYMDLEL-LSDHHAIUSA-N |
| Fcsp3 | 0.9375 |
| Logs | -2.589 |
| Rotatable Bond Count | 15.0 |
| Logd | 0.834 |
| Compound Name | (9S,10R)-9,10,16-trihydroxyhexadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 304.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2935474000000005 |
| Inchi | InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/m0/s1 |
| Smiles | C(CCC[C@@H]([C@@H](CCCCCCO)O)O)CCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Source_db:cmaup_ingredients