34549 <common-name>Lactosamine</common-name> <description nil="true"/> <cas>13000-25-4</cas> <pubchem-id nil="true"/> <chemical-formula>C24H46N2O20</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">2016-05-26T04:10:17Z</created-at> <updated-at type="dateTime">2026-04-06T12:09:52Z</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>NC(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO.NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O</moldb-smiles> <moldb-formula>C24H46N2O20</moldb-formula> <moldb-inchi>InChI=1S/2C12H23NO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12;13-4(1-14)7(18)11(5(17)2-15)23-12-10(21)9(20)8(19)6(3-16)22-12/h3-12,14-20H,1-2,13H2;1,4-12,15-21H,2-3,13H2</moldb-inchi> <moldb-inchikey>PLXWPPSZXBDZCI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">682.6234</moldb-average-mass> <moldb-mono-mass type="decimal">682.264391922</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM033444</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00123067</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>203.16</moldb-polar-surface-area> <moldb-refractivity>71.41640000000001</moldb-refractivity> <moldb-polarizability>31.56011611120502</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>11</moldb-acceptor-count> <moldb-donor-count>8</moldb-donor-count> <moldb-pka-strongest-acidic>12.119081280636168</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.157510701662124</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-2.93</moldb-alogps-logp> <moldb-alogps-logs>0.00</moldb-alogps-logs> <moldb-alogps-solubility>3.42e+02 g/l</moldb-alogps-solubility> </compound>