46088 <common-name>(6R-trans)-7-amino-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>87506921</pubchem-id> <chemical-formula>C10H12N6O6S3</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T12:44:13Z</created-at> <updated-at type="dateTime">2026-03-26T23:34:40Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H]C1(N)C(=O)N2C(C(O)=O)=C(CSC3=NN=NN3CS(O)(=O)=O)CS[C@]12[H]</moldb-smiles> <moldb-formula>C10H12N6O6S3</moldb-formula> <moldb-inchi>InChI=1S/C10H12N6O6S3/c11-5-7(17)16-6(9(18)19)4(1-23-8(5)16)2-24-10-12-13-14-15(10)3-25(20,21)22/h5,8H,1-3,11H2,(H,18,19)(H,20,21,22)/t5?,8-/m1/s1</moldb-inchi> <moldb-inchikey>ATMROFNURATUIQ-XCGJVMPOSA-N</moldb-inchikey> <moldb-average-mass type="decimal">408.42</moldb-average-mass> <moldb-mono-mass type="decimal">407.998045652</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>57457041</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM044983</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007050</stoff-ident-id> <susdat-id>NS00005537</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>181.6</moldb-polar-surface-area> <moldb-refractivity>101.07179999999997</moldb-refractivity> <moldb-polarizability>36.05298894731865</moldb-polarizability> <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count> <moldb-acceptor-count>10</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>-1.3220905600932449</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.385684146184458</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>-1.71</moldb-alogps-logp> <moldb-alogps-logs>-1.94</moldb-alogps-logs> <moldb-alogps-solubility>4.71e+00 g/l</moldb-alogps-solubility> </compound>