Chem
J-GLOBAL ID：200907071961558888   Nikkaji number：J1.466.024K

1-[4-Amino-5-(5-amino-1-pentynyl)-7H-pyrrolo[2,3-d]pyrimidine-7-yl]-1,2-dideoxy-β-D-erythro-pentofuranose 5-triphosphoric acid

1-[4-アミノ-5-(5-アミノ-1-ペンチニル)-7H-ピロロ[2,3-d]ピリミジン-7-イル]-1,2-ジデオキシ-β-D-erythro-ペントフラノース5-三りん酸
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： C16H24N5O12P3
Molecular formula furigana： C16-H24-N5-O12-P3
Molecular weight： 571.312
InChI： InChI=1S/C16H24N5O12P3/c17-5-3-1-2-4-10-7-21(16-14(10)15(18)19-9-20-16)13-6-11(22)12(31-13)8-30-35(26,27)33-36(28,29)32-34(23,24)25/h7,9,11-13,22H,1,3,5-6,8,17H2,(H,26,27)(H,28,29)(H2,18,19,20)(H2,23,24,25)/t11-,12+,13+/m0/s1
InChI key： MCSGHAFVOBYWGE-YNEHKIRRSA-N
SMILES： NCCCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c2ncnc(N)c12
Systematic name  (3)：
  • 1-[4-アミノ-5-(5-アミノ-1-ペンチニル)-7H-ピロロ[2,3-d]ピリミジン-7-イル]-1,2-ジデオキシ-β-D-erythro-ペントフラノース5-三りん酸
  • ({[({[(2R,3S,5R)-5-[4-アミノ-5-(5-アミノペンタ-1-イン-1-イル)-7H-ピロロ[2,3-d]ピリミジン-7-イル]-3-ヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)ホスホン酸
  • ({[({[(2R,3S,5R)-5-[4-amino-5-(5-aminopent-1-yn-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1)：
  • 1-[4-Amino-5-(5-amino-1-pentynyl)-7H-pyrrolo[2,3-d]pyrimidine-7-yl]-1,2-dideoxy-β-D-erythro-pentofuranose 5-triphosphoric acid
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