Chem
J-GLOBAL ID：201507044812445850   Nikkaji number：J3.341.045J

9-[2,2-Bis(phosphonomethoxymethyl)ethyl]-1,6-dihydro-6-oxo-9H-purine

9-[2,2-ビス(ホスホノメトキシメチル)エチル]-1,6-ジヒドロ-6-オキソ-9H-プリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H18N4O9P2
Molecular formula furigana： C11-H18-N4-O9-P2
Molecular weight： 412.232
InChI： InChI=1S/C11H18N4O9P2/c16-11-9-10(12-4-13-11)15(5-14-9)1-8(2-23-6-25(17,18)19)3-24-7-26(20,21)22/h4-5,8H,1-3,6-7H2,(H,12,13,16)(H2,17,18,19)(H2,20,21,22)
InChI key： UAIJWVVEDWVBMI-UHFFFAOYSA-N
SMILES： OP(=O)(O)COCC(COCP(=O)(O)O)Cn1cnc2c1nc[nH]c2=O
Systematic name  (3)：
  • 9-[2,2-ビス(ホスホノメトキシメチル)エチル]-1,6-ジヒドロ-6-オキソ-9H-プリン
  • ({2-[(6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)メチル]-3-(ホスホノメトキシ)プロポキシ}メチル)ホスホン酸
  • ({2-[(6-oxo-6,9-dihydro-1H-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy}methyl)phosphonic acid
Other name (1)：
  • 9-[2,2-Bis(phosphonomethoxymethyl)ethyl]-1,6-dihydro-6-oxo-9H-purine
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