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Substance Name: Deoxy(thymidylic-adenylic-cytidylic-guanosine)
RN: 117489-85-7
InChIKey: YQAPYMRZMZFFPA-UFFQPUODSA-N

Molecular Formula

  • C39-H50-N15-O22-P3

Molecular Weight

  • 1173.829
 
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Names and Synonyms

Name of Substance

  • Deoxy(thymidylic-adenylic-cytidylic-guanosine)

Synonym

  • d(Tpapcpg)

Systematic Name

  • Guanosine, thymidylyl-(3'-5')-2'-deoxyadenylyl-(3'-5')-2'-deoxycytidylyl-(3'-5')-2'-deoxy-

Registry Numbers

CAS Registry Number

  • 117489-85-7

System Generated Number

  • 0117489857

Structure Descriptors

InChI

InChI=1S/C39H50N15O22P3/c1-15-10-52(38(61)50-34(15)58)27-7-19(74-78(65,66)76-79(67,68)75-77(62,63)64)21(71-27)9-39(69-11-22-17(56)5-24(72-22)51-3-2-23(40)47-37(51)60,8-20-16(55)4-25(70-20)53-13-45-28-31(41)43-12-44-32(28)53)30-18(57)6-26(73-30)54-14-46-29-33(54)48-36(42)49-35(29)59/h2-3,10,12-14,16-22,24-27,30,55-57H,4-9,11H2,1H3,(H,65,66)(H,67,68)(H2,40,47,60)(H2,41,43,44)(H,50,58,61)(H2,62,63,64)(H3,42,48,49,59)/t16-,17-,18-,19-,20+,21+,22+,24+,25+,26+,27+,30-,39?/m0/s1

InChIKey

YQAPYMRZMZFFPA-UFFQPUODSA-N

Smiles

CC1=CN([C@H]2C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](CC(C[C@H]3O[C@H](C[C@@H]3O)n4cnc5c(N)ncnc45)(OC[C@H]6O[C@H](C[C@@H]6O)N7C=CC(=NC7=O)N)[C@H]8O[C@H](C[C@@H]8O)n9cnc%10C(=O)NC(=Nc9%10)N)O2)C(=O)NC1=O