Methyl eicosa-5,8,11,14,17-pentaenoate
PubChem CID: 5367433
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| Compound Synonyms | Methyl eicosa-5,8,11,14,17-pentaenoate, SCHEMBL983228, SCHEMBL983231, (5Z,8Z,11Z,14Z,17Z)-Methyl icosa-5,8,11,14,17-pentaenoate, QWDCYFDDFPWISL-ZACMJQCDSA-N |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 412.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C21H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QWDCYFDDFPWISL-ZACMJQCDSA-N |
| Fcsp3 | 0.4761904761904761 |
| Logs | -4.879 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.563 |
| Compound Name | Methyl eicosa-5,8,11,14,17-pentaenoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 316.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 5.0 |
| Esol | -4.614107 |
| Inchi | InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4+,8-7+,11-10+,14-13+,17-16+ |
| Smiles | CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 5.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients