Enterodiol
Representations & DB's id
| ||
| ChEBI: | CHEBI:81556 | |
|---|---|---|
| ChEMBL: | CHEMBL471076 | |
| PubChem: | 115089 | |
| IUPAC: | (2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol | |
| Standard InChI: | InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1 | |
| Standard InChI Key: | DWONJCNDULPHLV-HOTGVXAUSA-N | |
| SMILES: | OC[C@@H]([C@@H](Cc1cccc(c1)O)CO)Cc1cccc(c1)O | |
Molecular propeties
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| AlogP: | 2.1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 302.15 | |
| Topological polar surface area: | 80.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 18 | |