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Substance Name: Thymidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-thymidylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyadenosine
RN: 94042-82-7
InChIKey: LBKFVLFQARGPOX-UHFFFAOYSA-N

Molecular Formula

  • C79-H99-N32-O46-P7

Molecular Weight

  • 2449.6471
 
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Names and Synonyms

Synonym

  • EINECS 301-748-3

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94042-82-7

System Generated Number

  • 0094042827

Structure Descriptors

InChI

1S/C79H99N32O46P7/c1-30-13-105(78(120)102-69(30)114)51-6-33(40(15-112)143-51)151-159(124,125)137-17-42-34(7-50(145-42)104-4-3-48(80)95-77(104)119)152-160(126,127)138-18-43-35(8-52(146-43)106-14-31(2)70(115)103-79(106)121)153-161(128,129)140-21-46-38(11-55(149-46)110-28-93-60-67(110)97-75(84)100-72(60)117)157-164(134,135)142-22-47-39(12-56(150-47)111-29-94-61-68(111)98-76(85)101-73(61)118)156-163(132,133)139-19-44-36(9-53(147-44)108-26-91-58-63(82)87-24-89-65(58)108)155-162(130,131)141-20-45-37(10-54(148-45)109-27-92-59-66(109)96-74(83)99-71(59)116)154-158(122,123)136-16-41-32(113)5-49(144-41)107-25-90-57-62(81)86-23-88-64(57)107/h3-4,13-14,23-29,32-47,49-56,112-113H,5-12,15-22H2,1-2H3,(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H2,80,95,119)(H2,81,86,88)(H2,82,87,89)(H,102,114,120)(H,103,115,121)(H3,83,96,99,116)(H3,84,97,100,117)(H3,85,98,101,118)

InChIKey

LBKFVLFQARGPOX-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)n1cnc2c1nc([nH]c2=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