(6Z,8E,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid
PubChem CID: 23427580
Connections displayed (default: 10).
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| Topological Polar Surface Area | 77.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6Z,8E,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 3.7 |
| Molecular Formula | C18H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DVKUEUADFHEKNX-BMGYHDIPSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -3.425 |
| Rotatable Bond Count | 13.0 |
| Logd | 1.341 |
| Compound Name | (6Z,8E,10R,11R,12Z)-10,11-dihydroxyoctadeca-6,8,12-trienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -3.2187907999999994 |
| Inchi | InChI=1S/C18H30O4/c1-2-3-4-7-10-13-16(19)17(20)14-11-8-5-6-9-12-15-18(21)22/h5,8,10-11,13-14,16-17,19-20H,2-4,6-7,9,12,15H2,1H3,(H,21,22)/b8-5-,13-10-,14-11+/t16-,17-/m1/s1 |
| Smiles | CCCCC/C=C\[C@H]([C@@H](/C=C/C=C\CCCCC(=O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Monophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chloranthus Serratus (Plant) Rel Props:Source_db:cmaup_ingredients