(5r,6e,8z,11z,14z,17z)-5-Hydroxyicosa-6,8,11,14,17-Pentaenoic Acid
PubChem CID: 24875302
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| Compound Synonyms | (5r,6e,8z,11z,14z,17z)-5-Hydroxyicosa-6,8,11,14,17-Pentaenoic Acid, SCHEMBL23752405, DB07172, PD005661, NS00070474, SR-01000947082, SR-01000947082-1, Q27096087, (5R,6E,8Z,11Z,14Z,17Z)-5-Hydroxyicosa-6,8,11,14,17-pentaenoate, 5HE |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C20H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FTAGQROYQYQRHF-CBVHGRPESA-N |
| Fcsp3 | 0.45 |
| Logs | -0.498 |
| Rotatable Bond Count | 13.0 |
| Logd | -2.696 |
| Compound Name | (5r,6e,8z,11z,14z,17z)-5-Hydroxyicosa-6,8,11,14,17-Pentaenoic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 318.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 5.0 |
| Esol | -3.8292334 |
| Inchi | InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m0/s1 |
| Smiles | CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 5.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaecyparis Obtusa (Plant) Rel Props:Source_db:cmaup_ingredients