<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">343467</id>
  <title nil="true"/>
  <common-name>[3-[2-[(2r,3r,4s,5s,6r)-2,4-dihydroxy-5-[(3r,4r,5r,6r)-3-hydroxy-4,5-bis(2-hydroxyethoxy)-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethoxymethyl)oxan-3-yl]oxyethoxy]-2-hydroxypropyl]-trimethylazanium</common-name>
  <description>[3-[2-[(2r,3r,4s,5s,6r)-2,4-dihydroxy-5-[(3r,4r,5r,6r)-3-hydroxy-4,5-bis(2-hydroxyethoxy)-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethoxymethyl)oxan-3-yl]oxyethoxy]-2-hydroxypropyl]-trimethylazanium is a chemical compound with the formula C25H50NO16+. With an average molecular weight of 620.70 g/mol, [3-[2-[(2r,3r,4s,5s,6r)-2,4-dihydroxy-5-[(3r,4r,5r,6r)-3-hydroxy-4,5-bis(2-hydroxyethoxy)-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethoxymethyl)oxan-3-yl]oxyethoxy]-2-hydroxypropyl]-trimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>71307058</pubchem-id>
  <chemical-formula>C25H50NO16+</chemical-formula>
  <weight>620.7</weight>
  <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">2026-08-31T04:53:17Z</created-at>
  <updated-at type="dateTime">2026-08-31T04:53:17Z</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>C[N+](C)(C)CC(COCCOC1C(C(C(OC1O)COCO)OC2C(C(C(C(O2)CO)OCCO)OCCO)O)O)O</moldb-smiles>
  <moldb-formula>C25H50NO16+</moldb-formula>
  <moldb-inchi>InChI=1S/C25H50NO16/c1-26(2,3)10-15(31)12-35-8-9-39-23-18(32)20(17(13-36-14-30)40-24(23)34)42-25-19(33)22(38-7-5-28)21(37-6-4-27)16(11-29)41-25/h15-25,27-34H,4-14H2,1-3H3/q+1/t15?,16-,17-,18+,19-,20-,21-,22-,23-,24-,25?/m1/s1</moldb-inchi>
  <moldb-inchikey>PTMZSOJKPDVBBM-XNZDOXQHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">620.3129595</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-5.8</logp>
  <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>CHEM339360</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>[3-[2-[(2r,3r,4s,5s,6r)-2,4-dihydroxy-5-[(3r,4r,5r,6r)-3-hydroxy-4,5-bis(2-hydroxyethoxy)-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethoxymethyl)oxan-3-yl]oxyethoxy]-2-hydroxypropyl]-trimethylazanium</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" nil="true"/>
  <sync-id>CED0293842</sync-id>
  <structure-inchikey>PTMZSOJKPDVBBM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000000800000000200000000000000200000000002100000000000000001000001080000000100000000000012000080000100004000000000000000000000000080000000200008000000840000000100000000000000000000008000010001000000000006000000000000000000000000000800000000100000000040000400000000000000800000000000100600000000000080400000000000000010000000000040040000000000000000000000000120000008000000000000000080000000000000004000000000000000000000000000080000000002000000000000020040000000000040000002000000400080000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������*���+���€���`������ "�������`�������`�������`�������`�������`������� ������`�������`������� ������`�������`�������`�������`������� ������`�������`�������`������� ������`�������`������� ������`�������`�������`�������`�������`������� ������`�������`������� ������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:42:51Z</structure-indexed-at>
</compound>
