(2S)-3-[(1Z,5Z)-16-hydroxyhexadeca-1,5-dien-3-ynoxy]propane-1,2-diol
PubChem CID: 21591331
Connections displayed (default: 10).
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| Topological Polar Surface Area | 69.9 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 362.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-3-[(1Z,5Z)-16-hydroxyhexadeca-1,5-dien-3-ynoxy]propane-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 4.0 |
| Molecular Formula | C19H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PWEKCZHKMCHXSQ-MKWQSKJTSA-N |
| Fcsp3 | 0.6842105263157895 |
| Logs | -3.336 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.329 |
| Compound Name | (2S)-3-[(1Z,5Z)-16-hydroxyhexadeca-1,5-dien-3-ynoxy]propane-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.4287582000000003 |
| Inchi | InChI=1S/C19H32O4/c20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23-18-19(22)17-21/h6,8,14,16,19-22H,1-5,7,9,11,13,15,17-18H2/b8-6-,16-14-/t19-/m0/s1 |
| Smiles | C(CCCCCO)CCCC/C=C\C#C/C=C\OC[C@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Robusta (Plant) Rel Props:Source_db:cmaup_ingredients