Chem
J-GLOBAL ID：200907088929547831   Nikkaji number：J676.877F

TNP-ATP

TNP-ATP
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： C16H17N5[N+]3O16[O-]3P3
Molecular formula furigana： C16-H17-N8-O19-P3
Molecular weight： 718.270
InChI： InChI=1S/C16H17N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-7,11-12,15H,3H2,(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/t6?,7-,11-,12-,15-,16?/m1/s1
InChI key： TXMXHIVKIUHZFM-YKWNPASPSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]2OC3(O[C@@H]12)C(=CC(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3)：
  • 2′-O,3′-O-(2,4,6-トリニトロ-2,5-シクロヘキサジエン-1-イリデン)アデノシン5′-トリホスファート
  • ({[({[(3'aR,4'R,6'R,6'aR)-4'-(6-アミノ-9H-プリン-9-イル)-2,4,6-トリニトロ-3'a,4',6',6'a-テトラヒドロスピロ[シクロヘキサン-1,2'-フロ[3,4-d][1,3]ジオキソール]-2,5-ジエン-6'-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
  • ({[({[(3'aR,4'R,6'R,6'aR)-4'-(6-amino-9H-purin-9-yl)-2,4,6-trinitro-3'a,4',6',6'a-tetrahydrospiro[cyclohexane-1,2'-furo[3,4-d][1,3]dioxole]-2,5-dien-6'-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (2)：
  • 2′-O,3′-O-(2,4,6-Trinitro-2,5-cyclohexadien-1-ylidene)adenosine 5′-triphosphate
  • TNP-ATP
Thsaurus map：
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