Clavulanic acid
Properties
- Molecular formula
- C8H9NO5
- Molar mass
- 199.16 g/mol
- Exact mass
- 199.0481 Da
- Melting point
- 117.5–118 °C
- logP
- -1.10Crippen estimate
- Polar surface area
- 87.1 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
- Stereocentres
- R, Rin SMILES atom order
- Double bonds
- ZE/Z, in SMILES order
Identifiers
CAS number
58001-44-8SMILES
O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21InChIKey
HZZVJAQRINQKSD-PBFISZAISA-NInChI
InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, (2R,3Z,5R)-
- 4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, [2R-(2α,3Z,5α)]-
- (2R,3Z,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- Antibiotic MM 14151
- MM 14151
- BRL 14151
- Z-(3R,5R)-2-(β-Hydroxyethylidene)clavam-3-carboxylic acid
Work with Clavulanic acid
Similar compounds
Clavulanic acid dimer impurity1260617-10-478 % similar
Potassium clavulanate61177-45-564 % similar
Sulbactam68373-14-830 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds