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Substance Name: TJ 14026
RN: 116696-69-6
InChIKey: ALHIVUOUXRBONS-JKLCVPGHSA-M

Molecular Formula

  • C44-H78-F-N2-O13-P.Na

Molecular Weight

  • 915.0553
 
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Names and Synonyms

Name of Substance

  • TJ 14026

Synonyms

  • (R)-Mono(2,3-bis((1-oxohexadecyl)oxy)propyl) 5-fluoro-5'-uridylate
  • 5'-(1,2-Dipalmitoyl-sn-glycero-3-phospho)-5-fluorouridine
  • TJ-14026

Systematic Name

  • 5'-Uridylic acid, 5-fluoro-, mono(2,3-bis((1-oxohexadecyl)oxy)propyl) ester, monosodium salt, (R)-

Registry Numbers

CAS Registry Number

  • 116696-69-6

System Generated Number

  • 0116696696

Molecular Formulas

Molecular Formula

  • C44-H78-F-N2-O13-P.Na

Molecular Formula Fragments

  • C44-H78-F-N2-O13-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H78FN2O13P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(48)56-32-35(59-39(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-57-61(54,55)58-34-37-40(50)41(51)43(60-37)47-31-36(45)42(52)46-44(47)53;/h31,35,37,40-41,43,50-51H,3-30,32-34H2,1-2H3,(H,54,55)(H,46,52,53);/q;+1/p-1/t35-,37-,40-,41-,43-;/m1./s1

InChIKey

ALHIVUOUXRBONS-JKLCVPGHSA-M

Smiles

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c(=O)[nH]c2=O)F)O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+]