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Substance Name: 2,6-Dideoxy-6-fluoro-2-(3-hydroxytetradecanamido)-3-O-((3-tetradecanoyloxy)tetradecanoyl)glucopyranose 4-(dihydrogen phosphate)
RN: 138527-42-1
InChIKey: QBFTXZCXZPHHNY-IAXSMKRXSA-N

Note

  • Fluorosugar analogue of GLA-60.

Molecular Formula

  • C48-H91-F-N-O12-P

Molecular Weight

  • 924.2139
 
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Names and Synonyms

Name of Substance

  • 2,6-Dideoxy-6-fluoro-2-(3-hydroxytetradecanamido)-3-O-((3-tetradecanoyloxy)tetradecanoyl)glucopyranose 4-(dihydrogen phosphate)

Synonym

  • 6-Fluoro gla-60

Systematic Name

  • D-Glucose, 2,6-dideoxy-6-fluoro-3-((3-hydroxy-1-oxotetradecyl)amino)-, 4-(dihydrogen phosphate)3-(3-((1-oxotetradecyl)oxy)tetradecanoate), (2(S),3(R))-

Registry Numbers

CAS Registry Number

  • 138527-42-1

System Generated Number

  • 0138527421

Structure Descriptors

InChI

1S/C48H91FNO12P/c1-4-7-10-13-16-19-20-23-26-29-32-35-45(55)60-41(34-31-28-25-22-18-15-12-9-6-3)37-46(56)61-47(48(43(53)38-49)62-63(57,58)59)42(39-51)50-44(54)36-40(52)33-30-27-24-21-17-14-11-8-5-2/h39-43,47-48,52-53H,4-38H2,1-3H3,(H,50,54)(H2,57,58,59)/t40-,41+,42-,43+,47+,48+/m0/s1

InChIKey

QBFTXZCXZPHHNY-IAXSMKRXSA-N

Smiles

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]([C@H](C=O)NC(=O)C[C@H](CCCCCCCCCCC)O)[C@@H]([C@@H](CF)O)OP(=O)(O)O