| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 14 | No |
Popular Name: Sodium danshensu Sodium danshensu
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23028-17-3 , 67920-52-9 , 76822-21-4
(R)-3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoicacid
23028-17-3; 3,4-Dihydroxyphenyllactic acid; 3-(3,4-Dihydroxyphenyl)lactate; C01207
3-(3,4-dihydroxyphenyl)lactate
3-(3,4-Dihydroxyphenyl)lactic acid
CHEBI:19925; CHEBI:1423; CHEBI:11720
CPD-7022; R(-)-3,4-dihydroxyphenyllactate; R(-)-3,4-dihydroxyphenyllactic acid
| 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) | -0.25 | -4.69 | -45.99 | 3 | 5 | -1 | 100 | 197.166 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | P450 | Selleck Chemicals |
| Patent Database Links | US2007184133 | ChEBI |
