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Substance Name: 2'-Deoxyadenylyl(3'-5')thymidylyl(3'-5')deoxyguanosylyl(3'-5')thymidine
RN: 80565-17-9
InChIKey: KJHUZEWFUDHFOB-NZRMLTGDSA-N

Molecular Weight

  • 1188.84
 
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Names and Synonyms

Name of Substance

  • 2'-Deoxyadenylyl(3'-5')thymidylyl(3'-5')deoxyguanosylyl(3'-5')thymidine

Synonym

  • d(A-T-G-T)

Systematic Name

  • Adenosine, thymidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxy-

Registry Numbers

CAS Registry Number

  • 80565-17-9

System Generated Number

  • 0080565179

Structure Descriptors

InChI

1S/C40H51N14O23P3/c1-15-9-51(38(59)49-34(15)56)25-4-18(75-78(61,62)63)22(72-25)8-40(7-21-17(55)3-24(71-21)53-13-45-28-31(41)43-12-44-32(28)53,30-20(77-80(67,68)69)6-26(74-30)52-10-16(2)35(57)50-39(52)60)70-11-23-19(76-79(64,65)66)5-27(73-23)54-14-46-29-33(54)47-37(42)48-36(29)58/h9-10,12-14,17-27,30,55H,3-8,11H2,1-2H3,(H2,41,43,44)(H,49,56,59)(H,50,57,60)(H2,61,62,63)(H2,64,65,66)(H2,67,68,69)(H3,42,47,48,58)/t17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,30-,40?/m0/s1

InChIKey

KJHUZEWFUDHFOB-NZRMLTGDSA-N

Smiles

OP(O[C@@H]1[C@@H]([C@](OC[C@@H]2[C@@H](OP(O)(=O)O)C[C@@H](O2)n2cnc3c(=O)[nH]c(N)nc23)(C[C@@H]2[C@@H](OP(=O)(O)O)C[C@@H](O2)n2c(=O)[nH]c(=O)c(C)c2)C[C@@H]2[C@@H](O)C[C@@H](O2)n2cnc3c(N)ncnc23)O[C@H](C1)n1c(=O)[nH]c(=O)c(C)c1)(=O)O