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Substance Name: Adenosine, adenylyl-(3'.5')-adenylyl-(3'.5')-, diammonium salt
RN: 94349-56-1
InChIKey: SHUSBRIWJQXMNB-XGMLEZCSSA-N

Molecular Formula

  • C30-H37-N15-O16-P2.2H3-N

Molecular Weight

  • 959.7207
 
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Names and Synonyms

Synonym

  • EINECS 305-174-4

Systematic Name

  • Adenosine, adenylyl-(3'.5')-adenylyl-(3'.5')-, diammonium salt

Registry Numbers

CAS Registry Number

  • 94349-56-1

System Generated Number

  • 0094349561

Molecular Formulas

Molecular Formula

  • C30-H37-N15-O16-P2.2H3-N

Molecular Formula Fragments

  • C30-H37-N15-O16-P2
  • COMPONENT
  • H3-N

Structure Descriptors

InChI

1S/C30H37N15O16P2.2H3N/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(58-28)2-55-62(51,52)61-21-12(59-30(19(21)50)45-9-42-15-24(33)36-6-39-27(15)45)3-56-63(53,54)60-20-10(1-46)57-29(18(20)49)44-8-41-14-23(32)35-5-38-26(14)44;;/h4-12,16-21,28-30,46-50H,1-3H2,(H,51,52)(H,53,54)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39);2*1H3/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-;;/m1../s1

InChIKey

SHUSBRIWJQXMNB-XGMLEZCSSA-N

Smiles

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N)COP(=O)([O-])O[C@@H]7[C@H](O[C@H]([C@@H]7O)n8cnc9c8ncnc9N)CO)O)O)N.[NH4+].[NH4+]