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Substance Name: 2',3'-O (2,4,6-Trinitrophenyl)-8-azidoadenosine diphosphate
RN: 120218-68-0
InChIKey: ZSPCDKXXIQXEKT-QYOSTPAGSA-M

Note

  • Affinity probe for the Ca+-ATPase of sarcoplasmic reticulum.

Molecular Formula

  • C16-H14-N11-O16-P2

Molecular Weight

  • 678.296
 
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Names and Synonyms

Name of Substance

  • 2',3'-O (2,4,6-Trinitrophenyl)-8-azidoadenosine diphosphate

Synonyms

  • 2'(3')-O-(2,4,6-Trinitrophenyl)-8-azidoadenosine 5'-diphosphate
  • 2,3-Tpadp

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 8-azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-)

Registry Numbers

CAS Registry Number

  • 120218-68-0

System Generated Number

  • 0120218680

Structure Descriptors

InChI

1S/C16H15N11O16P2/c17-12-9-13(20-4-19-12)24(15(21-9)22-23-18)14-11-10(6(40-14)3-39-45(37,38)43-44(34,35)36)41-16(42-11)7(26(30)31)1-5(25(28)29)2-8(16)27(32)33/h1-2,4,6-7,10-11,14H,3H2,(H,37,38)(H2,17,19,20)(H2,34,35,36)/p-1/t6-,7?,10-,11-,14-,16?/m1/s1

InChIKey

ZSPCDKXXIQXEKT-QYOSTPAGSA-M

Smiles

O(P(O)(O)=O)P(OC[C@H]1O[C@H]([C@@H]2O[C@@]3(O[C@@H]12)[C@@H](C=C([N+](=O)[O-])C=C3[N+]([O-])=O)[N+]([O-])=O)n1c(nc2c1ncnc2N)N=[N+]=[N-])(=O)[O-]