349706 <common-name>[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-[3-carbamoyl-4-(2-ethylpyridine-4-carbonyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate</common-name> <description>[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-[3-carbamoyl-4-(2-ethylpyridine-4-carbonyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate is a chemical compound with the formula C29H35N8O15P2+. With an average molecular weight of 797.60 g/mol, [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-[3-carbamoyl-4-(2-ethylpyridine-4-carbonyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>129320503</pubchem-id> <chemical-formula>C29H35N8O15P2+</chemical-formula> <weight>797.6</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">2026-08-31T14:22:00Z</created-at> <updated-at type="dateTime">2026-08-31T14:22:00Z</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>CCC1=NC=CC(=C1)C(=O)C2=C(C=[N+](C=C2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)C(=O)N</moldb-smiles> <moldb-formula>C29H35N8O15P2+</moldb-formula> <moldb-inchi>InChI=1S/C29H34N8O15P2/c1-2-14-7-13(3-5-32-14)20(38)15-4-6-36(8-16(15)26(31)43)28-23(41)21(39)17(50-28)9-48-53(44,45)52-54(46,47)49-10-18-22(40)24(42)29(51-18)37-12-35-19-25(30)33-11-34-27(19)37/h3-8,11-12,17-18,21-24,28-29,39-42H,2,9-10H2,1H3,(H5-,30,31,33,34,43,44,45,46,47)/p+1/t17-,18-,21-,22-,23-,24-,28-,29-/m1/s1</moldb-inchi> <moldb-inchikey>VHRYXUSNKVUYLZ-QEFSYXKZSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">797.1697114</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-4.9</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>CHEM345599</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>[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-[3-carbamoyl-4-(2-ethylpyridine-4-carbonyl)pyridin-1-ium-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate</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>CED0300029</sync-id> <structure-inchikey>VHRYXUSNKVUYLZ-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>4000000000080000108000000000000008000000000000a0004000000000000000000002000400000000020000002000000000008000000201000002404000000000000000000040002200200000000020800000000100000008000000000000001000012040000000000100500000000004000900001020000800001000184040000040000000011000000002800040001080000000000010000004400000000000000000000000000000084000000000020000085000000100000000008001000000080000000000000000400000000000008000080808004200000800000100200000020800002042000000000442000000001000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA2AAAAOwAAAIABBgBgAAAAAQMGAGAAAAAC AgZAKAAAAAMEB0AoAAAAAwMGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZA aAAAAAMDAQYAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAKAAAAAMEBkBoAAAA AwMBB2AqAAAAAQMEBkBoAAAAAwMBBkBoAAAAAwMBBgBgAAAAAwEGAGAAAAAD AQYAYAAAAAMBBgBgAAAAAwEIACAAAAACBgBgAAAAAgIIACAAAAACDwAgAAAA BQgAKAAAAAMCCABgAAAAAQEIACAAAAACDwAgAAAABQgAKAAAAAMCCABgAAAA AQEIACAAAAACBgBgAAAAAgIGAGAAAAADAQYAYAAAAAMBBgBgAAAAAwEGAGAA AAADAQgAIAAAAAIHQCgAAAADAwZAaAAAAAMDAQdAKAAAAAMDBkAoAAAAAwQG QCgAAAADBAdAKAAAAAMDBkBoAAAAAwMBB0AoAAAAAwMGQCgAAAADBAcAaAAA AAMBAggAYAAAAAEBCABgAAAAAQEIAGAAAAABAQgAYAAAAAEBBgAoAAAAAwQI ACgAAAADAgcAaAAAAAMBAgsAAQABAgACA2gMAwRoDAQFaAwFBmgMBgdoDAYI IAgJKAIICiAKC2gMCwxoDAwNaAwNDmgMDg9oDA0QABARABESABITABMUABMV ABUWABYXABcYCAIXGQAXGgAaGwAbHAgCGx0AGx4AHh8AHyAAICEAISIAIiMA IyQAIyUAJSZoDCYnaAwnKGgMKCloDCkqaAwqK2gMKyxoDCwtaAwpLiAiLwAh MAASMQARMgALMyAzNCgCMzUgBwJoDA8KaAwUEAAkIAAtJWgMLShoDEIGAAAA BgIHBgUEAwYLDA0ODwoFERAUExIFISAkIyIFJiUtKCcGKSorLC0oFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:45Z</structure-indexed-at> </compound>