| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2006 | 23 | No |
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.47 | -9.48 | -18.72 | 7 | 10 | 0 | 177 | 332.261 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 0.199 | Bitter DB |
| PUBCHEM_PATENT_ID | EP0374888A2; EP0755364A1; EP0755364B1; US4045386; US4110226; US4113919; US4618433; US5159069; US5431729; US5522927; US5750563; US5958417; US6143443; WO1996035239A1; WO1998041688A1 | IBM Patent Data |
