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Substance Name: Deoxy-(thymidylyl-adenylyl-adenylyl-thymidylic acid)
RN: 80460-62-4
InChIKey: LURVSHAJGPWUMV-AYQGZGMKSA-N

Molecular Weight

  • 1172.84
 
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Names and Synonyms

Name of Substance

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

Synonym

  • d(T-A-A-T)

Systematic Name

  • Thymidine, thymidylyl-(3'-5')-2'-deoxyadenylyl-(3'-5')-2'-deoxyadenylyl-(3'-5')-, (1'alpha)-

Registry Numbers

CAS Registry Number

  • 80460-62-4

System Generated Number

  • 0080460624

Structure Descriptors

InChI

1S/C40H51N14O22P3/c1-16-9-51(38(58)49-36(16)56)26-4-19(74-77(60,61)62)22(70-26)7-40(31-21(76-79(66,67)68)6-27(73-31)52-10-17(2)37(57)50-39(52)59,69-11-24-18(55)3-25(72-24)53-14-47-29-32(41)43-12-45-34(29)53)8-23-20(75-78(63,64)65)5-28(71-23)54-15-48-30-33(42)44-13-46-35(30)54/h9-10,12-15,18-28,31,55H,3-8,11H2,1-2H3,(H2,41,43,45)(H2,42,44,46)(H,49,56,58)(H,50,57,59)(H2,60,61,62)(H2,63,64,65)(H2,66,67,68)/t18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,31-,40?/m0/s1

InChIKey

LURVSHAJGPWUMV-AYQGZGMKSA-N

Smiles

OP(=O)(O[C@@H]1[C@@H]([C@](OC[C@@H]2[C@@H](O)C[C@@H](O2)n2cnc3c(N)ncnc23)(C[C@@H]2[C@@H](OP(O)(=O)O)C[C@@H](O2)n2cnc3c(N)ncnc23)C[C@@H]2[C@@H](OP(O)(O)=O)C[C@@H](O2)n2c(=O)[nH]c(=O)c(C)c2)O[C@H](C1)n1c(=O)[nH]c(=O)c(C)c1)O