<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347351</id>
  <title nil="true"/>
  <common-name>[3-[4-[[amino-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]methylidene]amino]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoyloxy-2,4,6-trihydroxycyclohexyl] carbamate</common-name>
  <description>[3-[4-[[amino-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]methylidene]amino]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoyloxy-2,4,6-trihydroxycyclohexyl] carbamate is a chemical compound with the formula C27H51N9O14. With an average molecular weight of 725.70 g/mol, [3-[4-[[amino-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]methylidene]amino]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoyloxy-2,4,6-trihydroxycyclohexyl] carbamate is a heavy molecule.</description>
  <cas>52955-41-6</cas>
  <pubchem-id>3040806</pubchem-id>
  <chemical-formula>C27H51N9O14</chemical-formula>
  <weight>725.7</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">2026-08-31T11:05:16Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:05:16Z</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(CC(CC(=O)NCCCC(CC(=O)NC(=NC1C(C(OC(C1O)OC2C(C(C(C(C2O)OC(=O)N)O)OC(=O)N)O)CO)O)N)N)N)CN</moldb-smiles>
  <moldb-formula>C27H51N9O14</moldb-formula>
  <moldb-inchi>InChI=1S/C27H51N9O14/c28-5-1-3-10(29)7-13(38)34-6-2-4-11(30)8-14(39)35-25(31)36-15-16(40)12(9-37)47-24(17(15)41)48-21-18(42)22(49-26(32)45)20(44)23(19(21)43)50-27(33)46/h10-12,15-24,37,40-44H,1-9,28-30H2,(H2,32,45)(H2,33,46)(H,34,38)(H3,31,35,36,39)</moldb-inchi>
  <moldb-inchikey>HHHVZSRXAOIJNA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">725.3555473</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-7.5</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>CHEM343244</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-[4-[[amino-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]methylidene]amino]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-carbamoyloxy-2,4,6-trihydroxycyclohexyl] carbamate</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>CED0297695</sync-id>
  <structure-inchikey>HHHVZSRXAOIJNA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000400400000800080000000010000080000000000000600000200000000080000000000000000000000010000000000000000000010000000000000000004000000000000000000040020000000002180100000410028000400100000000000200001200000000000000400004000000000000000000000040000000010000000000000040000000001020000008000100000000400000020000040000000200000001000000000000004000000001000000000000000010000010c000000000200000000000000a00000000000000000000000000000000000080000000000000000008000000008000000810440000002020000400400000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������2���3���€���`�������`�������`�������`�������(�������(�������h��������`�������`�������`�������`�������`�������(�������(�������h��������(�������(�������`�������`�������`������� ������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������h��������`�������(�������(�������(�������h��������`�������`�������`�������`�������h��������`�������`�������`�������`��������������������(��� �������	�	
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.��/��0�01�������B����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:45:54Z</structure-indexed-at>
</compound>
