| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 17 | Yes |
Popular Name: Diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate Diethyl 3,4-dihydroxythiophene-2…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14282-56-5 , 1822-66-8 , [1822-66-8]
2,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, 2,5-diethyl ester, sodium salt
3,4-DIHYDROXY-THIOPHENE-2,5-DICARBOXYLICACIDDIETHYLESTER
3,4-Dihydroxythiophene-2,5-dicarboxylic acid
3,4-Dihydroxythiophene-2,5-dicarboxylic acid diethyl ester
3,4-Dihydroxythiophene-2,5-dicarboxylic aciddiethyl ester
Diethyl3,4-dihydroxythiophene-2,5-dicarboxylate
| 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) | 1.91 | 4.79 | -126 | 0 | 6 | -2 | 99 | 258.251 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 3.79 | -46.81 | 1 | 6 | -1 | 96 | 259.259 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 2.8 | -9.64 | 2 | 6 | 0 | 93 | 260.267 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.