Chem
J-GLOBAL ID：200907086593832440   Nikkaji number：J1.060.506G

3′-O-(2-Methylaminobenzoyl)-2′-deoxyguanosine 5′-[β,γ-imide]triphosphoric acid

3′-O-(2-メチルアミノベンゾイル)-2′-デオキシグアノシン5′-[β,γ-イミド]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： C18H24N7O13P3
Molecular formula furigana： C18-H24-N7-O13-P3
Molecular weight： 639.347
InChI： InChI=1S/C18H24N7O13P3/c1-20-10-5-3-2-4-9(10)17(27)37-11-6-13(25-8-21-14-15(25)22-18(19)23-16(14)26)36-12(11)7-35-41(33,34)38-40(31,32)24-39(28,29)30/h2-5,8,11-13,20H,6-7H2,1H3,(H,33,34)(H3,19,22,23,26)(H4,24,28,29,30,31,32)/t11-,12+,13+/m0/s1
InChI key： KKDONOVTNFZJLO-YNEHKIRRSA-N
SMILES： CNc1ccccc1C(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)NP(=O)(O)O)n1cnc2c1nc(N)[nH]c2=O
Systematic name  (3)：
  • 3′-O-(2-メチルアミノベンゾイル)-2′-デオキシグアノシン5′-[β,γ-イミド]三りん酸
  • ({[({[(2R,3S,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-3-[2-(メチルアミノ)ベンゾイルオキシ]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}アミノ)ホスホン酸
  • ({[({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[2-(methylamino)benzoyloxy]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}amino)phosphonic acid
Other name (1)：
  • 3′-O-(2-Methylaminobenzoyl)-2′-deoxyguanosine 5′-[β,γ-imide]triphosphoric acid
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