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Substance Name: 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)
RN: 101011-00-1
InChIKey: JJEDGFIYWWCVMY-RBZQAINGSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H49-N4-O9-P.3H2-O

Molecular Weight

  • 604.6771
 
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Names and Synonyms

  • 5'-Thymidylic acid, 3'-(5-(diethyl(2-(triethylammonio)ethyl)ammonio)pentanoate), dihydroxide,bis(inner salt), hydrate (1:3)

Registry Numbers

CAS Registry Number

  • 101011-00-1

System Generated Number

  • 0101011001

Molecular Formulas

Molecular Formula

  • C27-H49-N4-O9-P.3H2-O

Molecular Formula Fragments

  • C27-H49-N4-O9-P
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H49N4O9P/c1-7-30(8-2,9-3)16-17-31(10-4,11-5)15-13-12-14-25(32)40-22-18-24(39-23(22)20-38-41(35,36)37)29-19-21(6)26(33)28-27(29)34/h19,22-24H,7-18,20H2,1-6H3,(H-2,28,33,34,35,36,37)/t22-,23+,24+/m0/s1

InChIKey

JJEDGFIYWWCVMY-RBZQAINGSA-N

Smiles

CC[N+](CC)(CC)CC[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