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Substance Name: Thymidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-thymidylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyadenosine
RN: 94042-88-3
InChIKey: CYVDCSWKRRAADR-UHFFFAOYSA-N

Molecular Formula

  • C78-H99-N30-O46-P7

Molecular Weight

  • 2409.6221
 
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Names and Synonyms

Synonym

  • EINECS 301-755-1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94042-88-3

System Generated Number

  • 0094042883

Structure Descriptors

InChI

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

CYVDCSWKRRAADR-UHFFFAOYSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)n4ccc(nc4=O)N)OP(=O)(O)OCC5C(CC(O5)n6cc(c(=O)[nH]c6=O)C)OP(=O)(O)OCC7C(CC(O7)n8cnc9c8nc([nH]c9=O)N)OP(=O)(O)OCC1C(CC(O1)n1ccc(nc1=O)N)OP(=O)(O)OCC1C(CC(O1)n1cnc2c1ncnc2N)OP(=O)(O)OCC1C(CC(O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(O)OCC1C(CC(O1)n1cnc2c1ncnc2N)O