78470 <common-name>6-Bromo-2-naphthyl beta-D-xylopyranoside</common-name> <description nil="true"/> <cas>69594-75-8</cas> <pubchem-id>2733919</pubchem-id> <chemical-formula>C15H15Br1O5</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">2026-04-04T12:31:51Z</created-at> <updated-at type="dateTime">2026-04-04T12:31:51Z</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>O[C@@H]1CO[C@@H](OC2=CC3=C(C=C2)C=C(Br)C=C3)[C@H](O)[C@H]1O</moldb-smiles> <moldb-formula>C15H15Br1O5</moldb-formula> <moldb-inchi>InChI=1S/C15H15BrO5/c16-10-3-1-9-6-11(4-2-8(9)5-10)21-15-14(19)13(18)12(17)7-20-15/h1-6,12-15,17-19H,7H2/t12-,13+,14-,15+/m1/s1</moldb-inchi> <moldb-inchikey>WHFCYXMRDUCMTI-BARDWOONSA-N</moldb-inchikey> <moldb-average-mass type="decimal">355.184</moldb-average-mass> <moldb-mono-mass type="decimal">354.010286</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2015682</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>CHEM074363</chemdb-id> <dsstox-id>DTXSID50219862</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036897</susdat-id> <iupac>(2S,3R,4S,5R)-2-(6-bromonaphthalen-2-yl)oxyoxane-3,4,5-triol</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">2</paper-count> <sync-id>CED0053338</sync-id> <structure-inchikey>WHFCYXMRDUCMTI-BARDWOONSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000200000400000000000000000000000200000000000400000000800000000000000001000000000000000800000000100000200800000000200000000210010005000400000100000000400020000000000000000000000100000000000000000000000000000000004000000000004000000000000400000000000000010000020000000080000000000000000000000000100000000000000000000000000000000000100000000000000000000000000000200000000000000000000000001000040000000000010000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������ 4��������`������� ����� 4��������(������@(������@h�������@(������@(������@h�������@h�������@h�������@(�����#� �����@h�������@h������� 4��������`������ 4��������`����������������������� ��h���h�� h� h� �h� �h�� h� �� �h���h������������������h���h�B�������������� ���� ��� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T02:42:52Z</structure-indexed-at> </compound>