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Substance Name: Tetrathymidylic acid
RN: 2945-57-5
InChIKey: BOAPUABTEVWFHM-SJAYXVESSA-N

Molecular Formula

  • C40-H54-N8-O29-P4

Molecular Weight

  • 1234.7896
 
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Names and Synonyms

Name of Substance

  • Tetrathymidylic acid

Synonym

  • Tetrathymidylate

Systematic Name

  • 5'-Thymidylic acid, thymidylyl-(5'-3')-thymidylyl-(5'-3')-thymidylyl-(5'-3')-

Registry Numbers

CAS Registry Number

  • 2945-57-5

System Generated Number

  • 0002945575

Structure Descriptors

InChI

1S/C40H54N8O29P4/c1-17-9-45(37(54)41-33(17)50)29-5-21(49)25(71-29)13-68-79(61,62)76-23-7-31(47-11-19(3)35(52)43-39(47)56)73-27(23)15-70-81(65,66)77-24-8-32(48-12-20(4)36(53)44-40(48)57)74-28(24)16-69-80(63,64)75-22-6-30(72-26(22)14-67-78(58,59)60)46-10-18(2)34(51)42-38(46)55/h9-12,21-32,49H,5-8,13-16H2,1-4H3,(H,61,62)(H,63,64)(H,65,66)(H,41,50,54)(H,42,51,55)(H,43,52,56)(H,44,53,57)(H2,58,59,60)/t21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+/m0/s1

InChIKey

BOAPUABTEVWFHM-SJAYXVESSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O)n6cc(c(=O)[nH]c6=O)C)n7cc(c(=O)[nH]c7=O)C)n8cc(c(=O)[nH]c8=O)C)O