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Substance Name: Thymidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyadenosine
RN: 94042-81-6
InChIKey: TVYQBYJHITYFLF-UHFFFAOYSA-N

Molecular Formula

  • C77-H98-N31-O46-P7

Molecular Weight

  • 2410.6102
 
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Names and Synonyms

Synonym

  • EINECS 301-747-8

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94042-81-6

System Generated Number

  • 0094042816

Structure Descriptors

InChI

1S/C77H98N31O46P7/c1-30-16-104(77(118)100-67(30)111)54-9-32(39(17-109)140-54)148-156(121,122)134-19-41-33(10-51(142-41)101-5-2-47(78)91-74(101)115)149-157(123,124)135-20-42-34(11-52(143-42)102-6-3-48(79)92-75(102)116)150-158(125,126)136-21-43-35(12-53(144-43)103-7-4-49(80)93-76(103)117)151-159(127,128)137-23-45-37(14-56(146-45)107-28-89-60-65(107)95-72(83)98-69(60)113)153-161(131,132)139-24-46-38(15-57(147-46)108-29-90-61-66(108)96-73(84)99-70(61)114)154-160(129,130)138-22-44-36(13-55(145-44)106-27-88-59-64(106)94-71(82)97-68(59)112)152-155(119,120)133-18-40-31(110)8-50(141-40)105-26-87-58-62(81)85-25-86-63(58)105/h2-7,16,25-29,31-46,50-57,109-110H,8-15,17-24H2,1H3,(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,78,91,115)(H2,79,92,116)(H2,80,93,117)(H2,81,85,86)(H,100,111,118)(H3,82,94,97,112)(H3,83,95,98,113)(H3,84,96,99,114)

InChIKey

TVYQBYJHITYFLF-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)n6ccc(nc6=O)N)OP(=O)(O)OCC7C(CC(O7)n8ccc(nc8=O)N)OP(=O)(O)OCC9C(CC(O9)n1cnc2c1nc([nH]c2=O)N)OP(=O)(O)OCC1C(CC(O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(O)OCC1C(CC(O1)n1cnc2c1nc([nH]c2=O)N)OP(=O)(O)OCC1C(CC(O1)n1cnc2c1ncnc2N)O