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Substance Name: 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate
RN: 110356-02-0
InChIKey: ZHUXFFFCPDPJSU-OOZYFLPDSA-N

Molecular Formula

  • C13-H18-Br-N5-O11-P2-S

Molecular Weight

  • 594.2272
 
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Names and Synonyms

Name of Substance

  • 2-((3-Bromo-2-oxopropyl)thio)adenosine 2',5'-bisphosphate

Synonym

  • Bop-tabp

Systematic Name

  • 2'-Adenylic acid, 2-((3-bromo-2-oxopropyl)thio)-, 5'-(dihydrogen phosphate)

Registry Numbers

CAS Registry Number

  • 110356-02-0

System Generated Number

  • 0110356020

Structure Descriptors

InChI

1S/C13H18BrN5O11P2S/c14-2-5(20)3-33-13-17-10(15)8-11(18-13)19(4-16-8)7-1-6(21)9(28-7)12(29-31(22,23)24)30-32(25,26)27/h4,6-7,9,12,21H,1-3H2,(H2,15,17,18)(H2,22,23,24)(H2,25,26,27)/t6-,7+,9-/m0/s1

InChIKey

ZHUXFFFCPDPJSU-OOZYFLPDSA-N

Smiles

c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)C(OP(=O)(O)O)OP(=O)(O)O)O)SCC(=O)CBr)N