45077 <common-name>Anhydro-Erythromycin</common-name> <description nil="true"/> <cas>23893-13-2</cas> <pubchem-id>83949</pubchem-id> <chemical-formula>C37H65NO12</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">2016-06-03T11:30:10Z</created-at> <updated-at type="dateTime">2026-03-31T17:46:01Z</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][C@@]1(C)C[C@@]2(C)O[C@]11O[C@@](C)([C@]([H])(O)[C@@]1([H])C)[C@@]([H])(CC)OC(=O)[C@]([H])(C)[C@@]([H])(O[C@@]1([H])C[C@@](C)(OC)[C@@]([H])(O)[C@]([H])(C)O1)[C@]([H])(C)[C@@]2([H])O[C@]1([H])O[C@]([H])(C)C[C@]([H])(N(C)C)[C@@]1([H])O</moldb-smiles> <moldb-formula>C37H65NO12</moldb-formula> <moldb-inchi>InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1</moldb-inchi> <moldb-inchikey>YKAVHPRGGAUFDN-JTQLBUQXSA-N</moldb-inchikey> <moldb-average-mass type="decimal">715.922</moldb-average-mass> <moldb-mono-mass type="decimal">715.450676537</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>30988539</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>CHEM043972</chemdb-id> <dsstox-id>DTXSID701016176</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Zweckverband Landeswasserversorgung Langenau</stoff-ident-origin> <stoff-ident-id>SI00004522</stoff-ident-id> <susdat-id>NS00009474</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>154.84</moldb-polar-surface-area> <moldb-refractivity>181.21010000000004</moldb-refractivity> <moldb-polarizability>77.44699672528786</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>12</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>12.582037720422</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.079814034356824</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>3.75</moldb-alogps-logp> <moldb-alogps-logs>-3.65</moldb-alogps-logs> <moldb-alogps-solubility>1.59e-01 g/l</moldb-alogps-solubility> </compound>