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Substance Name: 8-(2,4-Dinitrophenyl-2,6-aminohexyl)aminoadenosine 5'-triphosphate
RN: 84563-30-4
InChIKey: VBHXRBHWHBYBFR-QTQZEZTPSA-N

Molecular Weight

  • 787.463
 
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Names and Synonyms

Name of Substance

  • 8-(2,4-Dinitrophenyl-2,6-aminohexyl)aminoadenosine 5'-triphosphate

Synonym

  • gamma ATP-Dnp

Systematic Name

  • Adenosine 5'-(tetrahydrogen triphosphate), 8-((6-((2,4-dinitrophenyl)amino)hexyl)amino)-

Registry Numbers

CAS Registry Number

  • 84563-30-4

System Generated Number

  • 0084563304

Structure Descriptors

InChI

1S/C22H32N9O17P3/c23-19-16-20(27-11-26-19)29(21-18(33)17(32)15(46-21)10-45-50(41,42)48-51(43,44)47-49(38,39)40)22(28-16)25-8-4-2-1-3-7-24-13-6-5-12(30(34)35)9-14(13)31(36)37/h5-6,9,11,15,17-18,21,24,32-33H,1-4,7-8,10H2,(H,25,28)(H,41,42)(H,43,44)(H2,23,26,27)(H2,38,39,40)/t15-,17-,18-,21-/m1/s1

InChIKey

VBHXRBHWHBYBFR-QTQZEZTPSA-N

Smiles

C([C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1c(nc2c(N)ncnc12)NCCCCCCNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])O[P@@](O[P@@](OP(=O)(O)O)(=O)O)(=O)O