69108 <common-name>1-Deoxy-1-nitro-D-glucitol</common-name> <description>1-Deoxy-1-nitro-D-glucitol belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C6H13N1O7 and an average molecular weight of 211.17 g/mol.</description> <cas>14199-88-3</cas> <pubchem-id>103026</pubchem-id> <chemical-formula>C6H13N1O7</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">2026-04-03T14:33:02Z</created-at> <updated-at type="dateTime">2026-04-03T14:33:02Z</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>OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C[N+]([O-])=O</moldb-smiles> <moldb-formula>C6H13N1O7</moldb-formula> <moldb-inchi>InChI=1S/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2/t3-,4+,5+,6+/m0/s1</moldb-inchi> <moldb-inchikey>HOFCJTOUEGMYBT-SLPGGIOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">211.17</moldb-average-mass> <moldb-mono-mass type="decimal">211.069202</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>93078</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>CHEM065001</chemdb-id> <dsstox-id>DTXSID70161910</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024608</susdat-id> <iupac>(2R,3R,4R,5S)-6-nitrohexane-1,2,3,4,5-pentol</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbohydrates and carbohydrate conjugates</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0186716</sync-id> <structure-inchikey>HOFCJTOUEGMYBT-SLPGGIOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000002100000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000020400000000000001000000000400000000000010000050200000000000080000100000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000001200000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`������ 4��������`������ 4��������`������ 4��������`������ 4��������`�������`������ *������� *���ÿ����(������������������������������� �� � ���� � (�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:57Z</structure-indexed-at> </compound>