139224 <common-name>INO-4995</common-name> <description nil="true"/> <cas>868171-91-9</cas> <pubchem-id nil="true"/> <chemical-formula>C50H86O35P4</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">2026-04-14T21:45:04Z</created-at> <updated-at type="dateTime">2026-05-14T20:05:06Z</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>DB17834</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>CCCCCCCCO[C@@H]1[C@H](OC(=O)CCC)[C@H](OP(=O)(OCOC(=O)CC)OCOC(=O)CC)[C@@H](OP(=O)(OCOC(=O)CC)OCOC(=O)CC)[C@H](OP(=O)(OCOC(=O)CC)OCOC(=O)CC)[C@H]1OP(=O)(OCOC(=O)CC)OCOC(=O)CC</moldb-smiles> <moldb-formula>C50H86O35P4</moldb-formula> <moldb-inchi>InChI=1S/C50H86O35P4/c1-11-21-22-23-24-25-27-64-45-46(81-44(59)26-12-2)48(83-87(61,75-30-67-38(53)15-5)76-31-68-39(54)16-6)50(85-89(63,79-34-71-42(57)19-9)80-35-72-43(58)20-10)49(84-88(62,77-32-69-40(55)17-7)78-33-70-41(56)18-8)47(45)82-86(60,73-28-65-36(51)13-3)74-29-66-37(52)14-4/h45-50H,11-35H2,1-10H3/t45-,46+,47+,48+,49-,50-/m1/s1</moldb-inchi> <moldb-inchikey>SVJGGWZOTSJMCQ-RMTIMQEASA-N</moldb-inchikey> <moldb-average-mass type="decimal">1371.098</moldb-average-mass> <moldb-mono-mass type="decimal">1370.390012461</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8.57</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>CHEM135117</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,2S,3R,4R,5S,6R)-2,3,4,5-tetrakis({bis[(propanoyloxy)methoxy]phosphoryl}oxy)-6-(octyloxy)cyclohexyl butanoate</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>