279115 <common-name>[[2-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate</common-name> <description>[[2-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. With an average molecular weight of 509.20 g/mol, [[2-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate is a heavy molecule. Its chemical formula is C10H18N5O13P3.</description> <cas nil="true"/> <pubchem-id>3321887</pubchem-id> <chemical-formula>C10H18N5O13P3</chemical-formula> <weight>509.2</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">2026-08-26T19:01:05Z</created-at> <updated-at type="dateTime">2026-08-26T19:01:05Z</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>C1=NC(=C2C(=N1)N(C=N2)C(CO)OC(CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N</moldb-smiles> <moldb-formula>C10H18N5O13P3</moldb-formula> <moldb-inchi>InChI=1S/C10H18N5O13P3/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4-7,16-17H,1-3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)</moldb-inchi> <moldb-inchikey>VNPCHSRPQZTNIT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">509.0113966</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-5.4</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>CHEM275008</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-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-hydroxyphosphoryl] phosphono 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>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Imidazopyrimidines</klass> <subklass>Purines and purine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0231182</sync-id> <structure-inchikey>VNPCHSRPQZTNIT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000204000000000000000080004002000000000000000000000000001000000000002020000040001000000000000023400000000000000001000000000000000000000020000000008100000000000000000000000000013000000000000000000000000000000900000020000800100000080040000000000000010000004000000000001000000000000000000000000000000000000000000000000000080000000000000000085000000020000000000000000200080080000000000000000080000000008000080808000000000000000000201000020000000040008000000000000000000000000000000000000000</structure-fingerprint> 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