105946 <common-name>Heptyl</common-name> <description>Heptyl is an organic compound with the formula C16H28N4O6 and an average molecular weight of 99.20 g/mol. Heptyl belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It is classified as an organic oxygen compound. Regarding its biological activity, one protein target has been recorded for this compound: the Gag-Pol polyprotein (gag-pol).</description> <cas>815588-85-3</cas> <pubchem-id>51003457</pubchem-id> <chemical-formula>C16H28N4O6</chemical-formula> <weight>372.42</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">2026-04-05T12:43:54Z</created-at> <updated-at type="dateTime">2026-08-19T17:37:07Z</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>DB05644</drugbank-id> <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>[CH2]CCCCCC</moldb-smiles> <moldb-formula>C16H28N4O6</moldb-formula> <moldb-inchi>InChI=1S/C16H28N4O6/c1-2-3-4-5-6-7-25-16(24)19-14-17-10-20(15(23)18-14)13-8-11(22)12(9-21)26-13/h11-13,21-22H,2-10H2,1H3,(H2,17,18,19,23,24)/t11-,12+,13+/m0/s1</moldb-inchi> <moldb-inchikey>SZWIAFVYPPMZML-YNEHKIRRSA-N</moldb-inchikey> <moldb-average-mass type="decimal">99.197</moldb-average-mass> <moldb-mono-mass type="decimal">372.2008846</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.96</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>CHEM101839</chemdb-id> <dsstox-id>DTXSID60187245</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00071054</susdat-id> <iupac>heptyl N-{5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}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">5408</paper-count> <sync-id>CED0004262</sync-id> <structure-inchikey>AQMHNCQZLQUNJI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>801000004000000000000000000000000000000000000000000002000080000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000040000000000000000000010000000000000000000000000000000000000000000000000000000200000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000010002000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>40000000000400000000000000000000000000000000000000000040000000004000000004400000000000011000000000000000000000042000000000000000000020000000000000000002000000000000000000000000000000000001000000000110800000010000200400000040000000000000000000000100400020000000000000800000000000001000000000000000000000000000002c0000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000080000000000000000000000000000000000000000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAHAAAABgAAAIABBiCwAAAAAgMBBgBgAAAA AgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAEDCwAB AAECAAIDAAMEAAQFAAUGAEIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:41:57Z</structure-indexed-at> </compound>