Chem
J-GLOBAL ID:200907016801925980   Nikkaji number:J2.010.875D

[1,1-Difluoro-5-[2,6,8-trioxo-1,2,3,6,8,9-hexahydro-9-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-7H-purine-7-yl]pentyl]phosphonic acid

(1,1-ジフルオロ-5-{2,6,8-トリオキソ-9-[(2S,3S,4R)-2,3,4,5-テトラヒドロキシペンチル]-2,3,6,7,8,9-ヘキサヒドロ-1H-プリン-7-イル}ペンチル)ホスホン酸
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: C15H23F2N4O10P
Molecular formula furigana: C15-H23-F2-N4-O10-P
Molecular weight: 488.338
InChI: InChI=1S/C15H23F2N4O10P/c16-15(17,32(29,30)31)3-1-2-4-20-9-11(18-13(27)19-12(9)26)21(14(20)28)5-7(23)10(25)8(24)6-22/h7-8,10,22-25H,1-6H2,(H2,29,30,31)(H2,18,19,26,27)/t7-,8+,10-/m0/s1
InChI key: ZBEBHCIQAVPUSI-XKSSXDPKSA-N
SMILES: OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2n(CCCCC(F)(F)P(=O)(O)O)c1=O
Systematic name  (3):
  • [1,1-ジフルオロ-5-[2,6,8-トリオキソ-1,2,3,6,8,9-ヘキサヒドロ-9-[(2S,3S,4R)-2,3,4,5-テトラヒドロキシペンチル]-7H-プリン-7-イル]ペンチル]ホスホン酸
  • (1,1-ジフルオロ-5-{2,6,8-トリオキソ-9-[(2S,3S,4R)-2,3,4,5-テトラヒドロキシペンチル]-2,3,6,7,8,9-ヘキサヒドロ-1H-プリン-7-イル}ペンチル)ホスホン酸
  • (1,1-difluoro-5-{2,6,8-trioxo-9-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2,3,6,7,8,9-hexahydro-1H-purin-7-yl}pentyl)phosphonic acid
Other name (1):
  • [1,1-Difluoro-5-[2,6,8-trioxo-1,2,3,6,8,9-hexahydro-9-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-7H-purine-7-yl]pentyl]phosphonic acid
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