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Substance Name: Deoxyadenylyl-(3'-5')-deoxycytidylyl-(3'-5')-deoxyadenosine
RN: 70419-16-8
InChIKey: YAKLLFOEUQFXLI-PQKNJGAISA-N

Molecular Formula

  • C29-H37-N13-O14-P2

Molecular Weight

  • 853.6363
 
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Names and Synonyms

Name of Substance

  • Deoxyadenylyl-(3'-5')-deoxycytidylyl-(3'-5')-deoxyadenosine

Synonym

  • d(Apcpa)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70419-16-8

System Generated Number

  • 0070419168

Structure Descriptors

InChI

1S/C29H37N13O14P2/c30-18-1-2-40(29(44)39-18)20-6-15(56-58(48,49)50)17(53-20)7-51-16(24-12(43)3-19(54-24)41-10-37-22-25(31)33-8-35-27(22)41)4-13-14(55-57(45,46)47)5-21(52-13)42-11-38-23-26(32)34-9-36-28(23)42/h1-2,8-17,19-21,24,43H,3-7H2,(H2,30,39,44)(H2,31,33,35)(H2,32,34,36)(H2,45,46,47)(H2,48,49,50)/t12-,13+,14-,15-,16?,17+,19+,20+,21+,24-/m0/s1

InChIKey

YAKLLFOEUQFXLI-PQKNJGAISA-N

Smiles

c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COC(C[C@@H]3[C@H](C[C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)[C@@H]6[C@H](C[C@@H](O6)n7cnc8c7ncnc8N)O)OP(=O)(O)O