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Substance Name: Deoxy-(adenylyl-thymidylyl-adenylyl-thymidylic acid)
RN: 68232-81-5
InChIKey: WDQJDUMOJRBTSW-UHFFFAOYSA-N

Molecular Formula

  • C40-H51-N14-O22-P3

Molecular Weight

  • 1172.8409
 
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Names and Synonyms

Name of Substance

  • Deoxy-(adenylyl-thymidylyl-adenylyl-thymidylic acid)

Synonym

  • d(A-T-A-T)

Systematic Names

  • Adenosine, thymidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxy-
  • Adenosine, thymidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxy-, (5alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 68232-81-5

System Generated Number

  • 0068232815

Structure Descriptors

InChI

1S/C40H51N14O22P3/c1-17-7-51(39(59)49-37(17)57)27-3-19(56)24(71-27)10-67-77(61,62)76-22-6-30(54-16-48-32-34(42)44-14-46-36(32)54)73-26(22)12-69-79(65,66)75-21-5-28(52-8-18(2)38(58)50-40(52)60)72-25(21)11-68-78(63,64)74-20-4-29(70-23(20)9-55)53-15-47-31-33(41)43-13-45-35(31)53/h7-8,13-16,19-30,55-56H,3-6,9-12H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H2,41,43,45)(H2,42,44,46)(H,49,57,59)(H,50,58,60)

InChIKey

WDQJDUMOJRBTSW-UHFFFAOYSA-N

Smiles

CC1=CN(C2CC(O)C(COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5CO)n6cnc7c(N)ncnc67)N8C=C(C)C(=O)NC8=O)n9cnc%10c(N)ncnc9%10)O2)C(=O)NC1=O