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Substance Name: 2',3'-(O-(2,4,6-Trinitrocyclohexadienylidine))adenosine 5'-diphosphate
RN: 84430-17-1
InChIKey: GOGIWXNCDKEUKE-RUQMBEDUSA-M

Classification Codes

  • Coloring Agents
  • Fluorescent Dyes
  • Indicators and Reagents
  • Luminescent Agents

Molecular Formula

  • C16-H15-N8-O16-P2.Na

Molecular Weight

  • 660.2725
 
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Names and Synonyms

Name of Substance

  • 2',3'-(O-(2,4,6-Trinitrocyclohexadienylidine))adenosine 5'-diphosphate

Synonym

  • Tnp-ADP

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 2',3'-O-(2,4,6-trinitro-2,4-cyclohexadienylidene)-, ion(1-), sodium

Registry Numbers

CAS Registry Number

  • 84430-17-1

System Generated Number

  • 0084430171

Molecular Formulas

Molecular Formula

  • C16-H15-N8-O16-P2.Na

Molecular Formula Fragments

  • C16-H15-N8-O16-P2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H16N8O16P2.Na/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(37-15)3-36-42(34,35)40-41(31,32)33)38-16(39-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30;/h1-2,4-5,7-8,11-12,15H,3H2,(H,34,35)(H2,17,18,19)(H2,31,32,33);/q;+1/p-1/t7-,8?,11-,12-,15-,16?;/m1./s1

InChIKey

GOGIWXNCDKEUKE-RUQMBEDUSA-M

Smiles

c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)[O-])OC5(O4)C(C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N.[Na+]