9-Decene-4,6-diyne-1,3,8-triol, (3R,8R)-
PubChem CID: 10261702
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| Compound Synonyms | 9-Decene-4,6-diyne-1,3,8-triol, (3R,8R)-, 693288-19-6, CHEMBL470664, DTXSID60437454 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HCTNZAAVSRVKLJ-ZJUUUORDSA-N |
| Fcsp3 | 0.4 |
| Logs | -0.926 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.058 |
| Compound Name | 9-Decene-4,6-diyne-1,3,8-triol, (3R,8R)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6773586 |
| Inchi | InChI=1S/C10H12O3/c1-2-9(12)5-3-4-6-10(13)7-8-11/h2,9-13H,1,7-8H2/t9-,10+/m1/s1 |
| Smiles | C=C[C@H](C#CC#C[C@@H](CCO)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Monosperma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all