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Substance Name: 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)
RN: 101010-98-4
InChIKey: JRIPKWFEFCSFOD-YTFSRNRJSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C26-H47-N4-O9-P.3H2O

Molecular Weight

  • 590.6503
 
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Names and Synonyms

  • 5'-Thymidylic acid, 3'-(5-((3-(diethylamino)propyl)diethylammonio)pentanoate), hydroxide, inner salt, hydrate (1:3)

Registry Numbers

CAS Registry Number

  • 101010-98-4

System Generated Number

  • 0101010984

Molecular Formulas

Molecular Formula

  • C26-H47-N4-O9-P.3H2O

Molecular Formula Fragments

  • C26-H47-N4-O9-P
  • COMPONENT
  • H2O

Structure Descriptors

InChI

1S/C26H47N4O9P/c1-6-28(7-2)14-12-16-30(8-3,9-4)15-11-10-13-24(31)39-21-17-23(38-22(21)19-37-40(34,35)36)29-18-20(5)25(32)27-26(29)33/h18,21-23H,6-17,19H2,1-5H3,(H2-,27,32,33,34,35,36)/t21-,22+,23+/m0/s1

InChIKey

JRIPKWFEFCSFOD-YTFSRNRJSA-N

Smiles

CCN(CC)CCC[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