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Substance Name: Thymidylyl-(5'.3')-2'-deoxycytidylyl-(5'.3')-thymidylyl-(5'.3')-2'-deoxyadenylyl-(5'.3')-thymidylyl-(5'.3')-2'-deoxyadenylyl-(5'.3')-2'-deoxyguanylyl-(5'.3')-2'-deoxyadenosine
RN: 94042-86-1
InChIKey: NIRRRMHKPNIJRZ-UHFFFAOYSA-N

Molecular Formula

  • C79-H100-N29-O46-P7

Molecular Weight

  • 2408.634
 
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Names and Synonyms

Synonym

  • EINECS 301-753-0

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94042-86-1

System Generated Number

  • 0094042861

Structure Descriptors

InChI

1S/C79H100N29O46P7/c1-32-14-102(77(116)98-71(32)111)52-6-35(110)44(141-52)18-133-155(119,120)149-37-8-53(101-5-4-51(80)95-76(101)115)142-45(37)19-135-157(123,124)150-38-9-54(103-15-33(2)72(112)99-78(103)117)143-46(38)20-136-159(127,128)152-40-11-57(106-29-92-61-65(82)86-26-89-68(61)106)145-48(40)22-138-158(125,126)151-39-10-55(104-16-34(3)73(113)100-79(104)118)144-47(39)21-137-160(129,130)153-41-12-58(107-30-93-62-66(83)87-27-90-69(62)107)146-49(41)23-139-161(131,132)154-42-13-59(108-31-94-63-70(108)96-75(84)97-74(63)114)147-50(42)24-134-156(121,122)148-36-7-56(140-43(36)17-109)105-28-91-60-64(81)85-25-88-67(60)105/h4-5,14-16,25-31,35-50,52-59,109-110H,6-13,17-24H2,1-3H3,(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,80,95,115)(H2,81,85,88)(H2,82,86,89)(H2,83,87,90)(H,98,111,116)(H,99,112,117)(H,100,113,118)(H3,84,96,97,114)

InChIKey

NIRRRMHKPNIJRZ-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)n1cc(c(=O)[nH]c1=O)C)n1cnc2c1ncnc2N)n1cc(c(=O)[nH]c1=O)C)n1ccc(nc1=O)N)O