Isoclavulanic acid

(2R,3E,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Also Known As: Isoclavulanic acid|CLAVULANIC ACID|SureCN2292022|Benzoic acid, o-(3-bromo-p-toluoyl)-|Benzoic acid, 2-(3-bromo-4-methylbenzoyl)-|J1.018.185B|J2.777.589F|(2R,3E,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|BRD-K29627430-237-01-0|(2R,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2R,3E,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid|(2R,5beta)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2beta-carboxylic acid|(2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2beta-carboxylic acid|(2r,5r,z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(5R)-3-((Z)-2-hydroxy-ethylidene)-7-oxo-(5rH)-4-oxa-1-aza-bicyclo[3.2.0]heptane-2c-carboxylic acid

Molecular Formula	C8H9NO5
Molecular Weight	199.04807 g/mol
LogP	-1.0956
Topological Polar Surface Area	87.07 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	199.04807
Monoisotopic Mass	199.04807
Heavy Atoms	14
Complexity	323.69333

Chemical Identifiers

CAS Number	85-53-0
SMILES	C1[C@@H]2N(C1=O)[C@H](/C(=C\CO)/O2)C(=O)O