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Substance Name: 2-Bromo-2'-deoxyadenosine triphosphate
RN: 106867-29-2
InChIKey: FLYRFEYNGPLUFC-JKUQZMGJSA-N

Molecular Formula

  • C10-H15-Br-N5-O12-P3

Molecular Weight

  • 570.078
 
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Names and Synonyms

Name of Substance

  • 2-Bromo-2'-deoxyadenosine triphosphate

Synonym

  • 2-Bromo-datp

Systematic Name

  • Adenosine, 5'-(tetrahydrogen triphosphate)- 2-bromo-2'-deoxy-

Registry Numbers

CAS Registry Number

  • 106867-29-2

System Generated Number

  • 0106867292

Structure Descriptors

InChI

1S/C10H15BrN5O12P3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(17)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,17H,1-2H2,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t4-,5+,6-/m0/s1

InChIKey

FLYRFEYNGPLUFC-JKUQZMGJSA-N

Smiles

C([C@@H]1[C@@H](O)C[C@H](O1)n1cnc2c(N)nc(nc12)Br)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O