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Substance Name: 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)
RN: 101011-02-3
InChIKey: NPHTVZMGDLIRQS-JIMJEQGWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C29-H53-N4-O9-P.4H2-O

Molecular Weight

  • 632.7307
 
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Names and Synonyms

  • 5'-Thymidylic acid, 3'-(5-(diethyl(4-(triethylammonio)butyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:4)

Registry Numbers

CAS Registry Number

  • 101011-02-3

System Generated Number

  • 0101011023

Molecular Formulas

Molecular Formula

  • C29-H53-N4-O9-P.4H2-O

Molecular Formula Fragments

  • C29-H53-N4-O9-P
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H53N4O9P/c1-7-32(8-2,9-3)17-14-15-19-33(10-4,11-5)18-13-12-16-27(34)42-24-20-26(41-25(24)22-40-43(37,38)39)31-21-23(6)28(35)30-29(31)36/h21,24-26H,7-20,22H2,1-6H3,(H-2,30,35,36,37,38,39)/t24-,25+,26+/m0/s1

InChIKey

NPHTVZMGDLIRQS-JIMJEQGWSA-N

Smiles

CC[N+](CC)(CC)CCCC[N+](CC)(CC)CCCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n2cc(c(=O)[nH]c2=O)C