(3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid
PubChem CID: 162989367
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C16H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZWXPQVPYJYQHL-LIOJJOQBSA-N |
| Fcsp3 | 0.6875 |
| Logs | -3.556 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.049 |
| Compound Name | (3R,4E,6Z)-3-hydroxyhexadeca-4,6-dienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.7486614000000005 |
| Inchi | InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h10-13,15,17H,2-9,14H2,1H3,(H,18,19)/b11-10-,13-12+/t15-/m0/s1 |
| Smiles | CCCCCCCCC/C=C\C=C\[C@@H](CC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Hispidum (Plant) Rel Props:Source_db:cmaup_ingredients