317310 <common-name>2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1h-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxyprop-2-enoic acid</common-name> <description>2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1h-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxyprop-2-enoic acid has the chemical formula C19H20N3O12P. With an average molecular weight of 513.30 g/mol, 2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1h-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxyprop-2-enoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>138388128</pubchem-id> <chemical-formula>C19H20N3O12P</chemical-formula> <weight>513.3</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">2026-08-29T15:23:44Z</created-at> <updated-at type="dateTime">2026-08-29T15:23:44Z</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=C(C(=O)O)OP(=O)(O)OCC(C(C(CN1C2=CC(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O</moldb-smiles> <moldb-formula>C19H20N3O12P</moldb-formula> <moldb-inchi>InChI=1S/C19H20N3O12P/c1-8(18(28)29)34-35(31,32)33-7-14(25)15(26)13(24)6-22-12-5-10(23)3-2-9(12)4-11-16(22)20-19(30)21-17(11)27/h2-5,13-15,24-26H,1,6-7H2,(H,28,29)(H,31,32)(H2,20,21,27,30)/t13-,14+,15-/m0/s1</moldb-inchi> <moldb-inchikey>VXQYYXJOSRZXMW-ZNMIVQPWSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">513.0784601</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3</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>CHEM313203</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>2-[hydroxy-[(2r,3s,4s)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1h-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxyprop-2-enoic acid</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>CED0268134</sync-id> <structure-inchikey>VXQYYXJOSRZXMW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000100000000020000800000000200000000000000000080000000100000000000000000004021000000020000000004000000000000020000000002000000000000000010000000000000000000000020000000000100003000000002000080050000211000040000000800100080800000000100200000000800000000020000000000000000000000220400000000800800000000000000000000000000000000000004000000040201080040000000000200800000000000002000000000000000000000000000000000008000000000080000081000004200000000000000000000020000000040000000000420000000000000000000080000200001</structure-fingerprint> 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