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Substance Name: 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)
RN: 101011-06-7
InChIKey: XOELTOAOMKZBFT-DSCYDMRWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C31-H53-N4-O9-P

Molecular Weight

  • 656.7527
 
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Names and Synonyms

Synonym

  • BRN 6040240

Systematic Name

  • 5'-Thymidylic acid, 3'-(5-(4-decyl-1,4-diazoniabicyclo(2.2.2)oct-1-yl)pentanoate), dihydroxide, bis(inner salt)

Registry Numbers

CAS Registry Number

  • 101011-06-7

System Generated Number

  • 0101011067

Structure Descriptors

InChI

1S/C31H53N4O9P/c1-3-4-5-6-7-8-9-11-14-34-16-19-35(20-17-34,21-18-34)15-12-10-13-29(36)44-26-22-28(43-27(26)24-42-45(39,40)41)33-23-25(2)30(37)32-31(33)38/h23,26-28H,3-22,24H2,1-2H3,(H-2,32,37,38,39,40,41)/t26-,27+,28-,34?,35?/m0/s1

InChIKey

XOELTOAOMKZBFT-DSCYDMRWSA-N

Smiles

CCCCCCCCCC[N+]12CC[N+](CC1)(CC2)CCCCC(=O)O[C@H]3C[C@H](O[C@@H]3COP(=O)([O-])[O-])n4cc(c(=O)[nH]c4=O)C