In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 8 | No |
Popular Name: 2-Oxovaleric Acid 2-Oxovaleric Acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13022-83-8 , 1821-02-9 , 617-35-6 , [13022-83-8]
1821-02-9; 2-Oxopentanoate; 2-Oxopentanoic acid; 2-Oxovalerate; C06255; alpha-Ketovaleric acid
2-Ketovaleric acid, sodium salt
2-Oxopentanoic acid sodium salt
2-oxovalerate; alpha-ketovalerate
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) | 0.17 | 3.19 | -43.64 | 0 | 3 | -1 | 57 | 115.108 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP | 179 | TCI |
UniProt Database Links | TMBP_NOSS1 | ChEBI |
PUBCHEM_PATENT_ID | US5559079 | IBM Patent Data |