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Substance Name: 5'-O-Triphosphoryl-8-azidoadenylyl-(2'-5')-8-azidoadenylyl-(2'-5')-8-azidoadenosine
RN: 117146-01-7
InChIKey: NUONZANRSLHAQW-WEQVSLHESA-N

Molecular Formula

  • C30-H37-N24-O25-P5

Molecular Weight

  • 1288.6353
 
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Names and Synonyms

Name of Substance

  • 5'-O-Triphosphoryl-8-azidoadenylyl-(2'-5')-8-azidoadenylyl-(2'-5')-8-azidoadenosine

Synonym

  • 8-Azido-p3A3

Systematic Name

  • Adenosine 5'-(tetrahydrogen triphosphate), 8-azidoadenylyl-(5'-2')-8-azidoadenylyl-(5'-2')-8-azido-

Registry Numbers

CAS Registry Number

  • 117146-01-7

System Generated Number

  • 0117146017

Structure Descriptors

InChI

1S/C30H37N24O25P5/c31-19-9-22(40-3-37-19)52(6-43-9)25-15(58)12(55)7(72-25)1-29(75-81(64,65)77-83(68,69)79-84(70,71)78-82(66,67)76-80(61,62)63,2-8-13(56)16(59)26(73-8)53-23-10(20(32)38-4-41-23)44-28(53)46-49-34)18-14(57)17(60)27(74-18)54-24-11(21(33)39-5-42-24)45-30(54,47-50-35)48-51-36/h3-8,13-14,16-18,25-27,45,55-60H,1-2H2,(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H2,31,37,40)(H2,32,38,41)(H2,33,39,42)(H2,61,62,63)/t7-,8-,13-,14+,16-,17-,18+,25-,26-,27-,29?/m1/s1

InChIKey

NUONZANRSLHAQW-WEQVSLHESA-N

Smiles

c1nc(c2c(n1)n(cn2)[C@H]3C(=C([C@H](O3)CC(C[C@@H]4[C@H]([C@H]([C@@H](O4)n5c6c(c(ncn6)N)nc5N=[N+]=[N-])O)O)([C@@H]7[C@H]([C@H]([C@@H](O7)N8c9c(c(ncn9)N)NC8(N=[N+]=[N-])N=[N+]=[N-])O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N