Gallicynoic Acid G
PubChem CID: 24800367
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| Compound Synonyms | Gallicynoic Acid G, (5S,8R)-5,8-dihydroxydodec-6-ynoic acid, Gallicynoate g, CHEBI:208196, 1012860-92-2 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (5S,8R)-5,8-dihydroxydodec-6-ynoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C12H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FFERRNKFKPTEJW-MNOVXSKESA-N |
| Fcsp3 | 0.75 |
| Logs | -1.318 |
| Rotatable Bond Count | 7.0 |
| Logd | 0.18 |
| Compound Name | Gallicynoic Acid G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 228.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 228.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4170855999999996 |
| Inchi | InChI=1S/C12H20O4/c1-2-3-5-10(13)8-9-11(14)6-4-7-12(15)16/h10-11,13-14H,2-7H2,1H3,(H,15,16)/t10-,11+/m1/s1 |
| Smiles | CCCC[C@H](C#C[C@H](CCCC(=O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients