300406 <common-name>[[4'-(6-amino-5h-purin-9-ium-9-yl)-1,3,5-trinitrospiro[cyclohexa-1,3-diene-6,2'-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate</common-name> <description>[[4'-(6-amino-5h-purin-9-ium-9-yl)-1,3,5-trinitrospiro[cyclohexa-1,3-diene-6,2'-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C16H14N8O19P3+. With an average molecular weight of 715.20 g/mol, [[4'-(6-amino-5h-purin-9-ium-9-yl)-1,3,5-trinitrospiro[cyclohexa-1,3-diene-6,2'-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3035229</pubchem-id> <chemical-formula>C16H14N8O19P3+</chemical-formula> <weight>715.2</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">2026-08-28T17:17:04Z</created-at> <updated-at type="dateTime">2026-08-28T17:17:04Z</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=C(C=C(C2(C1[N+](=O)[O-])OC3=C(OC(=C3O2)[N+]4=C5C(C(=NC=N5)N)N=C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-])[N+](=O)[O-]</moldb-smiles> <moldb-formula>C16H14N8O19P3+</moldb-formula> <moldb-inchi>InChI=1S/C16H13N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,8,10,17H,3H2,(H4,31,32,33,34,35,36,37)/p+1</moldb-inchi> <moldb-inchikey>NHXFSKZBEIIARS-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">714.9588062</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-4.8</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>CHEM296299</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>[[4'-(6-amino-5h-purin-9-ium-9-yl)-1,3,5-trinitrospiro[cyclohexa-1,3-diene-6,2'-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Ethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0251682</sync-id> <structure-inchikey>NHXFSKZBEIIARS-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>40000000008800000000000000000000100000a2040010000000080000020200000000002000000010002060000000000020000401000002010000110000000080000080000000000000000020800000000100001000002840400000800000012000000200000200001000010002000000000000000804100000180040000808000000000000000000000004001000001000300000000000000000200200000000400000000000080000000000000000006000000000000000000200000000000000008808000000000000000000008800080008000000000000000000001000020000000040000000000000000000001080800000000100000040</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������.���2���€���h��������(�������h��������(������� ������`������ *��������(������ *���ÿ����(������@(������@(������@(������@(������@(�������(������ *��������(�������`�������(�������(�������h��������(�������h��������(�������h��������`������� ������ ������(�������`������� ������ ������(�������`������� ������ ������(�������`�������`������ *��������(������ *���ÿ��� *��������(������ *���ÿ�����(��� ��(������������(��� � � �h���h�� h� �h��� � ��(���������(��� ��(��� �����(��������������������� � !�� "� #�#$�$%��$&�$'��( ()(�(* �+ +,(�+- ������� h��� �� B������������ ��� �� � ������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:28Z</structure-indexed-at> </compound>