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Substance Name: 2',3' O-(2,4,6-trinitrophenyl)adenosine 5'-diphosphate
RN: 77450-67-0
InChIKey: WYOHYTDXVJMKHS-LKSVHCESSA-M

Molecular Weight

  • 637.282
 
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Names and Synonyms

Name of Substance

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

Synonym

  • 2,4,6-Tad

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 2'(or 3')-O-(2,4,6-trinitrophenyl)-

Registry Numbers

CAS Registry Number

  • 77450-67-0

System Generated Number

  • 0077450670

Structure Descriptors

InChI

1S/C16H16N8O16P2/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)/p-1/t7-,8?,11?,12?,15-,16?/m1/s1

InChIKey

WYOHYTDXVJMKHS-LKSVHCESSA-M

Smiles

C([C@@H]1[C@@H]2O[C@@]3(C(=CC(=C[C@@H]3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O[C@@H]2[C@@H](O1)n1cnc2c(N)ncnc12)O[P@@](OP(=O)(O)[O-])(=O)O