(10E)-heptadeca-1,10-dien-4,6-diyne-3,8,9-triol
PubChem CID: 6475018
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| Compound Synonyms | Compound NP-015766, (10E)-heptadeca-1,10-dien-4,6-diyne-3,8,9-triol, AKOS040738720, (10E)-1,10-Heptadecadiene-4,6-diyne-3,8,9-triol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (10E)-heptadeca-1,10-dien-4,6-diyne-3,8,9-triol |
| Prediction Hob | 0.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JKOCBLSUHOIHCL-UKTHLTGXSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -3.996 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.452 |
| Compound Name | (10E)-heptadeca-1,10-dien-4,6-diyne-3,8,9-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9281311999999997 |
| Inchi | InChI=1S/C17H24O3/c1-3-5-6-7-8-9-13-16(19)17(20)14-11-10-12-15(18)4-2/h4,9,13,15-20H,2-3,5-8H2,1H3/b13-9+ |
| Smiles | CCCCCC/C=C/C(C(C#CC#CC(C=C)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients