1.0 2010-04-08 22:08:32 UTC 2025-11-18 23:15:51 UTC FDB009356 Enzymes, bacterial It is used as a food additive . (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylIC ACID (Z)-(2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylate (Z)-(2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid Acide clavulanique Acido clavulanico Acidum clavulanicum Antibiotic mm 14151 Clavulanate Clavulanic acid Clavulansaeure Isoclavulanic acid MM 14151 C8H9NO5 199.1608 199.048072403 (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid clavulanate 58001-44-8 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO 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/s1 HZZVJAQRINQKSD-PBFISZAISA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteropolycyclic compounds 1,4-oxazepines Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Clavams Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxazolidines Primary alcohols Tertiary carboxylic acid amides Alcohol Aliphatic heteropolycyclic compound Alpha-amino acid or derivatives Azacycle Azetidine Beta-lactam Carbonyl group Carboxamide group Carboxylic acid Clavam Hydrocarbon derivative Lactam Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazolidine Para-oxazepine Primary alcohol Tertiary carboxylic acid amide Clavams oxapenam Solid logp -1.16 ALOGPS logs 0.23 ALOGPS solubility 3.37e+02 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 3.32 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ChemAxon average_mass 199.1608 ChemAxon mono_mass 199.048072403 ChemAxon smiles [H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO ChemAxon formula C8H9NO5 ChemAxon 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-/t6-,7-/m1/s1 ChemAxon inchikey HZZVJAQRINQKSD-PBFISZAISA-N ChemAxon polar_surface_area 87.07 ChemAxon refractivity 44.25 ChemAxon polarizability 18.13 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16762 Specdb::CMs 40483 Specdb::CMs 157232 Specdb::MsIr 3128 Specdb::MsIr 3129 Specdb::MsIr 3130 Specdb::NmrOneD 153270 Specdb::NmrOneD 153271 Specdb::NmrOneD 153272 Specdb::NmrOneD 153273 Specdb::NmrOneD 153274 Specdb::NmrOneD 153275 Specdb::NmrOneD 153276 Specdb::NmrOneD 153277 Specdb::NmrOneD 153278 Specdb::NmrOneD 153279 Specdb::NmrOneD 153280 Specdb::NmrOneD 153281 Specdb::NmrOneD 153282 Specdb::NmrOneD 153283 Specdb::NmrOneD 153284 Specdb::NmrOneD 153285 Specdb::NmrOneD 153286 Specdb::NmrOneD 153287 Specdb::NmrOneD 153288 Specdb::NmrOneD 153289 Specdb::MsMs 84603 Specdb::MsMs 84604 Specdb::MsMs 84605 Specdb::MsMs 146493 Specdb::MsMs 146494 Specdb::MsMs 146495 Specdb::MsMs 3218872 Specdb::MsMs 3218873 Specdb::MsMs 3218874 Specdb::MsMs 3218875 Specdb::MsMs 3218876 Specdb::MsMs 3218877 HMDB14904 48947 J01