333780 <common-name>S-[2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] 4,8-dimethylnonanethioate</common-name> <description>S-[2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] 4,8-dimethylnonanethioate is a chemical compound with the formula C22H43N2O8PS. With an average molecular weight of 526.60 g/mol, S-[2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] 4,8-dimethylnonanethioate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>155920182</pubchem-id> <chemical-formula>C22H43N2O8PS</chemical-formula> <weight>526.6</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">2026-08-30T15:19:22Z</created-at> <updated-at type="dateTime">2026-08-30T15:19:22Z</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>CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O</moldb-smiles> <moldb-formula>C22H43N2O8PS</moldb-formula> <moldb-inchi>InChI=1S/C22H43N2O8PS/c1-16(2)7-6-8-17(3)9-10-19(26)34-14-13-23-18(25)11-12-24-21(28)20(27)22(4,5)15-32-33(29,30)31/h16-17,20,27H,6-15H2,1-5H3,(H,23,25)(H,24,28)(H2,29,30,31)/t17?,20-/m0/s1</moldb-inchi> <moldb-inchikey>UGVIHVOYCYWYSX-OZBJMMHXSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">526.2477745</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</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>CHEM329673</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>S-[2-[3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethyl] 4,8-dimethylnonanethioate</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0284259</sync-id> <structure-inchikey>UGVIHVOYCYWYSX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000404000000000800000002800000020000000000084000000100000000000001001000000000000000210000000800200004000000000000003000020000000000000000400000500000000000020001000000100000000003000500000000000010000000000000000000000000000000000000000000000000000000000000040000000000000000000020080008002000800000000000010000000000000000000000000000000000000000000000000080000000000000000000000000048000004000000000000000000000000000002080000000000400000000000001000020100081000000000010400000000000000000000000400000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������"���!���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(������� ������`�������`�������h��������(�������(�������`�������`�������h��������(�������(�������`������� ������`�������`�������`������� ������ ������(�������`�������`�������`������������������������������� � � ��� ��� � ������� ��(������������ ��(������������������������������ ��!�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:35:48Z</structure-indexed-at> </compound>