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Substance Name: P1-Adenosine 5'-P2-2-nitrobenzyl pyrophosphate
RN: 67030-28-8
InChIKey: AOTDBFTXUYWFSN-LSCFUAHRSA-N

Molecular Weight

  • 562.323
 
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Names and Synonyms

Name of Substance

  • P1-Adenosine 5'-P2-2-nitrobenzyl pyrophosphate

Synonym

  • P1-Adenosine 5'-P2-o-nitrobenzyl pyrophosphate

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), P'-((2-nitrophenyl)methyl) ester

Registry Numbers

CAS Registry Number

  • 67030-28-8

System Generated Number

  • 0067030288

Structure Descriptors

InChI

1S/C17H20N6O12P2/c18-15-12-16(20-7-19-15)22(8-21-12)17-14(25)13(24)11(34-17)6-33-37(30,31)35-36(28,29)32-5-9-3-1-2-4-10(9)23(26)27/h1-4,7-8,11,13-14,17,24-25H,5-6H2,(H,28,29)(H,30,31)(H2,18,19,20)/t11-,13-,14-,17-/m1/s1

InChIKey

AOTDBFTXUYWFSN-LSCFUAHRSA-N

Smiles

O(Cc1ccccc1[N+]([O-])=O)[P@@](=O)(O)O[P@@](OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12)(O)=O