(Z,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
PubChem CID: 102153440
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| Topological Polar Surface Area | 80.9 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (Z,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DVUXXXYVVWRAIA-DIOQYWENSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -5.537 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.833 |
| Compound Name | (Z,3S)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.138184542857142 |
| Inchi | InChI=1S/C17H18O4/c18-11-17(21)16(13-4-8-15(20)9-5-13)10-3-12-1-6-14(19)7-2-12/h1-10,16-21H,11H2/b10-3-/t16-,17?/m0/s1 |
| Smiles | C1=CC(=CC=C1/C=C\[C@@H](C2=CC=C(C=C2)O)C(CO)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Gobicus (Plant) Rel Props:Source_db:cmaup_ingredients