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Substance Name: Adenosine, thymidylyl-(3'-5')-2'-deoxyguanylyl-(3'-5')-2'-deoxycytidylyl-(3'-5')-2'-deoxy-
RN: 80692-82-6
InChIKey: HGSGRAHPUWGHLU-OXKLTHDXSA-N

Molecular Weight

  • 1173.83
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 80692-82-6

System Generated Number

  • 0080692826

Structure Descriptors

InChI

1S/C39H50N15O22P3/c1-16-8-52(39(60)50-35(16)57)28-5-18(21(9-55)70-28)74-78(63,64)68-12-24-20(7-29(73-24)54-15-46-31-34(54)48-37(42)49-36(31)58)76-79(65,66)69-11-23-19(6-27(72-23)51-3-2-25(40)47-38(51)59)75-77(61,62)67-10-22-17(56)4-26(71-22)53-14-45-30-32(41)43-13-44-33(30)53/h2-3,8,13-15,17-24,26-29,55-56H,4-7,9-12H2,1H3,(H,61,62)(H,63,64)(H,65,66)(H2,40,47,59)(H2,41,43,44)(H,50,57,60)(H3,42,48,49,58)/t17?,18?,19-,20-,21+,22+,23+,24+,26?,27+,28+,29+/m0/s1

InChIKey

HGSGRAHPUWGHLU-OXKLTHDXSA-N

Smiles

n1(cc(c([nH]c1=O)=O)C)[C@H]1C[C@@H]([C@H](O1)CO)O[P@@](OC[C@@H]1[C@H](C[C@@H](O1)n1c2[nH]c(nc(=O)c2nc1)N)O[P@@](OC[C@H]1O[C@H](C[C@@H]1O[P@@](OC[C@@H]1[C@@H](C[C@H](O1)[n@]1cnc2c(ncnc12)N)O)(O)=O)n1ccc(N)nc1=O)(O)=O)(O)=O