Clavulanic acid; E-Isomer
AlkaPlorer ID: AK292660
Synonym: Isoclavulanic acid
IUPAC Name: (3Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Structure
SMILES: O=C(O)C1/C(=C/CO)OC2CC(=O)N21
InChI: 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-
InChIKey: HZZVJAQRINQKSD-RJRFIUFISA-N
Source
Properties Information
Molecule Weight: 199.162
TPSA？: 87.07000000000001
MolLogP？: -1.0956
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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