<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">314835</id>
  <title nil="true"/>
  <common-name>[hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2r,4s,5r,6s)-5-methoxy-4,6-dimethyl-4-nitrosooxan-2-yl] hydrogen phosphate</common-name>
  <description>[hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2r,4s,5r,6s)-5-methoxy-4,6-dimethyl-4-nitrosooxan-2-yl] hydrogen phosphate is a chemical compound with the formula C18H29N3O14P2. With an average molecular weight of 573.40 g/mol, [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2r,4s,5r,6s)-5-methoxy-4,6-dimethyl-4-nitrosooxan-2-yl] hydrogen phosphate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>86289135</pubchem-id>
  <chemical-formula>C18H29N3O14P2</chemical-formula>
  <weight>573.4</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">2026-08-29T12:01:15Z</created-at>
  <updated-at type="dateTime">2026-08-29T12:01:15Z</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>CC1C(C(CC(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)(C)N=O)OC</moldb-smiles>
  <moldb-formula>C18H29N3O14P2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H29N3O14P2/c1-9-7-21(17(24)19-16(9)23)13-5-11(22)12(33-13)8-31-36(26,27)35-37(28,29)34-14-6-18(3,20-25)15(30-4)10(2)32-14/h7,10-15,22H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1</moldb-inchi>
  <moldb-inchikey>IKOVYVWEGRIBDT-JGQKHYKVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">573.1124766</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-3.1</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>CHEM310728</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>[hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2r,4s,5r,6s)-5-methoxy-4,6-dimethyl-4-nitrosooxan-2-yl] 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>Nucleosides, nucleotides, and analogues</superklass>
  <klass>Pyrimidine nucleotides</klass>
  <subklass>Pyrimidine nucleotide sugars</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0265714</sync-id>
  <structure-inchikey>IKOVYVWEGRIBDT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000c0000008000000000000000000200000000800000000008800010000000000000200000000000000000000000000000000000008000020000000000000000000000400080002000000010208000010101000000240000020200000000000120000000404001008001008000000201400000000018000000001800000080480000000000002000048000000000000000000000000000004000200028000400000000000000000801004000000000080001040000000004000000000000000000000000000004000020000000000000000820080040000000000000000210000200000000400000000000c0000000000000000500000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7014c2208532866081801b7081f8a3009900148a8515a010803f28d08220eb4c64222013138000000108410800c0201007600224508c3225016ee57980a1c000c7110c8112925780409010501a720b000804c59851211e374204656244225b258c28452f006c122860681681ddb40045308690720141e10631182c6102590806d04a30884ef082080806025049ac02883b3e989244629e8a54280b20604006a403d3129300b0c2200e055968016d35164ac02003894108401c906ab04cc08212ad0012a4049803b359800680775142d10d050010032070200d60330428004302903849b418898320114c0011d912208600500430d2c6842f130091007200000a</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������%���'���€���`�������`�������`������� ������`�������`������� ������ ������ ������(�������`������� ������ ������(�������`������� ������`�������`�������`�������`�������`������� �����@(������@h�������@(������@(�������(������@8�������@(�������(�������`�������`�������`�������(�������(������� ������`�������������������������������	���
���������������������������������������h���h���h���(���h���h���(�������� ��!�!"���#�#$���������h�B����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:21:11Z</structure-indexed-at>
</compound>
