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Substance Name: Adenosine, thymidylyl-(3'->5')-2'-deoxy-6-O-methylguanylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxy-
RN: 80228-05-3
InChIKey: XBGOYQTVPQMYFC-ZMVNDNELSA-N

Molecular Formula

  • C40-H52-N15-O22-P3

Molecular Weight

  • 1187.86
 
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Names and Synonyms

  • Adenosine, thymidylyl-(3'->5')-2'-deoxy-6-O-methylguanylyl-(3'->5')-2'-deoxycytidylyl-(3'->5')-2'-deoxy-

Registry Numbers

CAS Registry Number

  • 80228-05-3

System Generated Number

  • 0080228053

Structure Descriptors

InChI

1S/C40H52N15O22P3/c1-17-9-53(40(60)50-36(17)58)29-6-19(22(10-56)71-29)75-79(63,64)69-13-25-21(8-30(74-25)55-16-47-32-35(55)49-38(43)51-37(32)67-2)77-80(65,66)70-12-24-20(7-28(73-24)52-4-3-26(41)48-39(52)59)76-78(61,62)68-11-23-18(57)5-27(72-23)54-15-46-31-33(42)44-14-45-34(31)54/h3-4,9,14-16,18-25,27-30,56-57H,5-8,10-13H2,1-2H3,(H,61,62)(H,63,64)(H,65,66)(H2,41,48,59)(H2,42,44,45)(H2,43,49,51)(H,50,58,60)/t18-,19?,20-,21-,22+,23+,24+,25+,27?,28+,29+,30+/m0/s1

InChIKey

XBGOYQTVPQMYFC-ZMVNDNELSA-N

Smiles

n1(cc(c([nH]c1=O)=O)C)[C@@H]1O[C@@H]([C@@H](C1)O[P@@](OC[C@@H]1[C@H](C[C@@H](O1)n1cnc2c1nc(nc2OC)N)O[P@@](OC[C@@H]1[C@@H](O[P@@](OC[C@@H]2[C@H](C[C@H](O2)[n@]2cnc3c2ncnc3N)O)(O)=O)C[C@@H](O1)n1ccc(N)nc1=O)(O)=O)(O)=O)CO