138582 <common-name>Ukrain cation</common-name> <description nil="true"/> <cas>732958-87-1</cas> <pubchem-id nil="true"/> <chemical-formula>C66H72N6O15PS</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">2026-04-14T21:17:41Z</created-at> <updated-at type="dateTime">2026-05-14T20:02:25Z</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>DB17150</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>[H][C@]12[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@]1([H])[N+](C)(CCNP(=S)(NCC[N+]1(C)CC3=C(C=CC4=C3OCO4)[C@@]3([H])[C@@H](O)CC4=CC5=C(OCO5)C=C4[C@@]13[H])NCC[N+]1(C)CC3=C(C=CC4=C3OCO4)[C@@]3([H])[C@@H](O)CC4=CC5=C(OCO5)C=C4[C@@]13[H])CC1=C2C=CC2=C1OCO2</moldb-smiles> <moldb-formula>C66H72N6O15PS</moldb-formula> <moldb-inchi>InChI=1S/C66H72N6O15PS/c1-70(25-43-37(4-7-49-64(43)85-31-76-49)58-46(73)16-34-19-52-55(82-28-79-52)22-40(34)61(58)70)13-10-67-88(89,68-11-14-71(2)26-44-38(5-8-50-65(44)86-32-77-50)59-47(74)17-35-20-53-56(83-29-80-53)23-41(35)62(59)71)69-12-15-72(3)27-45-39(6-9-51-66(45)87-33-78-51)60-48(75)18-36-21-54-57(84-30-81-54)24-42(36)63(60)72/h4-9,19-24,46-48,58-63,73-75H,10-18,25-33H2,1-3H3,(H3,67,68,69,89)/q+3/t46-,47-,48-,58-,59-,60-,61+,62+,63+,70?,71?,72?,88?/m0/s1</moldb-inchi> <moldb-inchikey>DZWOYVBKCHRHGV-OZLOOOLJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">1252.36</moldb-average-mass> <moldb-mono-mass type="decimal">1251.449753075</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-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>CHEM134475</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>(1S,12S,13R)-24-(2-{[bis({2-[(1S,12S,13R)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-ium-24-yl]ethyl}amino)(sulfanylidene)-lambda5-phosphanyl]amino}ethyl)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-ium</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"/> </compound>