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Substance Name: 3'-O-(3-(2-Nitro-4-azidophenyl)propionyl)adenosine triphosphate
RN: 80220-04-8
InChIKey: NZSMCVVLVBHMRL-BGIGGGFGSA-N

Note

  • Photoreactive.

Molecular Weight

  • 725.3518
 
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Names and Synonyms

Name of Substance

  • 3'-O-(3-(2-Nitro-4-azidophenyl)propionyl)adenosine triphosphate

Synonym

  • N(3)-ATP

Systematic Name

  • Adenosine 5'-(tetrahydrogen triphosphate), 3'-(4-azido-2-nitrobenzenepropanoate)

Registry Numbers

CAS Registry Number

  • 80220-04-8

System Generated Number

  • 0080220048

Structure Descriptors

InChI

1S/C19H22N9O16P3/c20-17-14-18(23-7-22-17)27(8-24-14)19-15(30)16(12(41-19)6-40-46(36,37)44-47(38,39)43-45(33,34)35)42-13(29)4-2-9-1-3-10(25-26-21)5-11(9)28(31)32/h1,3,5,7-8,12,15-16,19,30H,2,4,6H2,(H,36,37)(H,38,39)(H2,20,22,23)(H2,33,34,35)/t12-,15-,16-,19-/m1/s1

InChIKey

NZSMCVVLVBHMRL-BGIGGGFGSA-N

Smiles

c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])CCC(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O