Chem
J-GLOBAL ID：200907094977063315   Nikkaji number：J830.302I

1-[5-O-[[[(Phosphonooxy)phosphonyl]oxy]phosphonyl]-2-deoxy-β-L-ribofuranosyl]thymine

1-[5-O-[[[(ホスホノオキシ)ホスホニル]オキシ]ホスホニル]-2-デオキシ-β-L-リボフラノシル]チミン
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： C10H17N2O14P3
Molecular formula furigana： C10-H17-N2-O14-P3
Molecular weight： 482.167
InChI： InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1
InChI key： NHVNXKFIZYSCEB-CSMHCCOUSA-N
SMILES： Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
Systematic name  (4)：
  • 1-[5-O-[[[(ホスホノオキシ)ホスホニル]オキシ]ホスホニル]-2-デオキシ-β-L-リボフラノシル]チミン
  • 1-[3,4-ジヒドロ-5-メチル-2,4-ジオキソピリミジン-1(2H)-イル]-1,2-ジデオキシ-β-L-erythro-ペントフラノース5-三りん酸
  • {[ヒドロキシ({[ヒドロキシ({[(2S,3R,5S)-3-ヒドロキシ-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)オキソラン-2-イル]メトキシ})ホスホリル]オキシ})ホスホリル]オキシ}ホスホン酸
  • {[hydroxy({[hydroxy({[(2S,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
Other name (2)：
  • 1-[5-O-[[[(Phosphonooxy)phosphonyl]oxy]phosphonyl]-2-deoxy-β-L-ribofuranosyl]thymine
  • 1-[3,4-Dihydro-5-methyl-2,4-dioxopyrimidine-1(2H)-yl]-1,2-dideoxy-β-L-erythro-pentofuranose 5-triphosphoric acid
Thsaurus map：
Thesaurus Map

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