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Substance Name: 2-Deoxy-2-((3R)-3-hydroxytetradecanamido)-3-O-((3-tetradecanoyloxy)tetradecanoyl)glucopyranosyl fluoride 4-(dihydrogen phosphate)
RN: 138527-40-9
InChIKey: DMSHXHBPCDSLRB-BCMHDZJLSA-N

Note

  • Fluorosugar analogue of GLA-60.

Molecular Weight

  • 924.214
 
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Names and Synonyms

Name of Substance

  • 2-Deoxy-2-((3R)-3-hydroxytetradecanamido)-3-O-((3-tetradecanoyloxy)tetradecanoyl)glucopyranosyl fluoride 4-(dihydrogen phosphate)

Synonym

  • 1-Fluoro gla-60

Registry Numbers

CAS Registry Number

  • 138527-40-9

System Generated Number

  • 0138527409

Structure Descriptors

InChI

1S/C48H91FNO12P/c1-4-7-10-13-16-19-20-23-26-29-32-35-43(54)59-40(34-31-28-25-22-18-15-12-9-6-3)37-44(55)61-47-45(48(49)60-41(38-51)46(47)62-63(56,57)58)50-42(53)36-39(52)33-30-27-24-21-17-14-11-8-5-2/h39-41,45-48,51-52H,4-38H2,1-3H3,(H,50,53)(H2,56,57,58)/t39?,40-,41-,45-,46-,47-,48+/m1/s1

InChIKey

DMSHXHBPCDSLRB-BCMHDZJLSA-N

Smiles

O([C@@H](CC(O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)O)F)CO)OP(O)(=O)O)=O)CCCCCCCCCCC)C(CCCCCCCCCCCCC)=O