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Substance Name: 5'-O-Triphosphoryl-2-azidoadenylyl-(2'-5')-2-azidoadenylyl-(2'-5')-2-azidoadenosine
RN: 117146-00-6
InChIKey: LHWFCDORCINDOI-GEUKKMLWSA-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-2-azidoadenylyl-(2'-5')-2-azidoadenylyl-(2'-5')-2-azidoadenosine

Synonym

  • 2-Azido-p3A3

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117146-00-6

System Generated Number

  • 0117146006

Structure Descriptors

InChI

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

InChIKey

LHWFCDORCINDOI-GEUKKMLWSA-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)n5cnc6c5nc(nc6N)N=[N+]=[N-])OP(=O)(O)O)O)([C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8NC(N=C9N)(N=[N+]=[N-])N=[N+]=[N-])O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N