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Substance Name: 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether
RN: 117414-71-8
InChIKey: XNUBAOJRQSJYRM-XNIJJKJLSA-N

Molecular Formula

  • C16-H17-F-N7-O17-P3

Molecular Weight

  • 691.2623
 
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Names and Synonyms

Name of Substance

  • 3'-O-(5-Fluoro-2,4-dinitrophenyl)ATP ether

Synonyms

  • 3'(O)-(5-Fluoro-2,4-dinitrophenyl)adenosine triphosphate ether
  • Fdnp-atpe

Systematic Name

  • Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-(5-fluoro-2,4-dinitrophenyl)-

Registry Numbers

CAS Registry Number

  • 117414-71-8

System Generated Number

  • 0117414718

Structure Descriptors

InChI

1S/C16H17FN7O17P3/c17-6-1-9(8(24(28)29)2-7(6)23(26)27)38-13-10(3-37-43(33,34)41-44(35,36)40-42(30,31)32)39-16(12(13)25)22-5-21-11-14(18)19-4-20-15(11)22/h1-2,4-5,10,12-13,16,25H,3H2,(H,33,34)(H,35,36)(H2,18,19,20)(H2,30,31,32)/t10-,12-,13-,16-/m1/s1

InChIKey

XNUBAOJRQSJYRM-XNIJJKJLSA-N

Smiles

c1c(c(cc(c1[N+](=O)[O-])F)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-]