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Substance Name: Adenyl-(3',5')-2'-deoxyfluoroguanylyl-(3',5')-adenosine
RN: 131889-16-2
InChIKey: VFPPSDRYXZDNOL-KUUMISFHSA-N

Molecular Formula

  • C30-H36-F-N15-O16-P2

Molecular Weight

  • 943.649
 
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Names and Synonyms

Name of Substance

  • Adenyl-(3',5')-2'-deoxyfluoroguanylyl-(3',5')-adenosine

Synonyms

  • Adenylyl-(3'-5')-2'-deoxy-2'-fluoroguanylyl-(3'-5')adenosine
  • Apgfpa

Systematic Name

  • Adenosine, adenylyl-(3'-5')-2'-deoxy-2'-fluoroguanylyl-(3'-5')-

Registry Numbers

CAS Registry Number

  • 131889-16-2

System Generated Number

  • 0131889162

Structure Descriptors

InChI

1S/C30H36FN15O16P2/c31-12-19(61-63(52,53)56-2-10-16(48)17(49)28(59-10)44-6-39-13-21(32)35-4-37-23(13)44)11(60-27(12)46-8-41-15-25(46)42-30(34)43-26(15)51)3-57-64(54,55)62-20-9(1-47)58-29(18(20)50)45-7-40-14-22(33)36-5-38-24(14)45/h4-12,16-20,27-29,47-50H,1-3H2,(H,52,53)(H,54,55)(H2,32,35,37)(H2,33,36,38)(H3,34,42,43,51)/t9-,10-,11-,12-,16-,17-,18-,19-,20-,27-,28-,29-/m1/s1

InChIKey

VFPPSDRYXZDNOL-KUUMISFHSA-N

Smiles

O=[P@@](OC[C@H]1O[C@@H](n2cnc3c(ncnc23)N)[C@@H](O)[C@@H]1O)(O)O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P@@](O[C@H]1[C@H]([C@@H](O[C@@H]1CO)n1c2ncnc(N)c2nc1)O)(O)=O)n1cnc2c(nc([nH]c12)N)=O