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Substance Name: Thymidylyl-(5'.3')-2'-deoxycytidylyl-(5'.3')-thymidylyl-(5'.3')-2'-deoxycytidylyl-(5'.3')-2'-deoxyguanylyl-(5'.3')-2'-deoxyadenylyl-(5'.3')-2'-deoxyguanylyl-(5'.3')-2'-deoxyadenosine
RN: 94042-93-0
InChIKey: PVTIAPPKAYJCDE-UHFFFAOYSA-N

Molecular Formula

  • C78-H99-N30-O46-P7

Molecular Weight

  • 2409.6221
 
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Names and Synonyms

Synonym

  • EINECS 301-760-9

Systematic Name

  • Thymidylyl-(5'.3')-2'-deoxycytidylyl-(5'.3')-thymidylyl-(5'.3')-2'-deoxycytidylyl-(5'.3')-2'-deoxyguanylyl-(5'.3')-2'-deoxyadenylyl-(5'.3')-2'-deoxyguanylyl-(5'.3')-2'-deoxyadenosine

Registry Numbers

CAS Registry Number

  • 94042-93-0

System Generated Number

  • 0094042930

Structure Descriptors

InChI

1S/C78H99N30O46P7/c1-31-15-103(77(117)99-69(31)111)51-7-33(110)42(141-51)18-133-155(119,120)149-35-9-52(101-5-3-49(79)93-75(101)115)142-43(35)19-135-158(125,126)151-37-11-54(104-16-32(2)70(112)100-78(104)118)144-45(37)21-137-157(123,124)150-36-10-53(102-6-4-50(80)94-76(102)116)143-44(36)20-136-159(127,128)153-40-14-58(108-30-92-62-68(108)96-74(84)98-72(62)114)147-48(40)24-139-160(129,130)152-38-12-56(106-28-90-60-64(82)86-26-88-66(60)106)145-46(38)22-138-161(131,132)154-39-13-57(107-29-91-61-67(107)95-73(83)97-71(61)113)146-47(39)23-134-156(121,122)148-34-8-55(140-41(34)17-109)105-27-89-59-63(81)85-25-87-65(59)105/h3-6,15-16,25-30,33-48,51-58,109-110H,7-14,17-24H2,1-2H3,(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,79,93,115)(H2,80,94,116)(H2,81,85,87)(H2,82,86,88)(H,99,111,117)(H,100,112,118)(H3,83,95,97,113)(H3,84,96,98,114)

InChIKey

PVTIAPPKAYJCDE-UHFFFAOYSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9CO)n1cnc2c1ncnc2N)n1cnc2c1nc([nH]c2=O)N)n1cnc2c1ncnc2N)n1cnc2c1nc([nH]c2=O)N)n1ccc(nc1=O)N)n1cc(c(=O)[nH]c1=O)C)n1ccc(nc1=O)N)O