Chemical Compound

[(3R)-1-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-3,4-dihydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-(phosphonooxymethyl)oxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] dodecanoate

CAS Registry Number 171092-39-0
[(3R)-1-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-3,4-dihydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-(phosphonooxymethyl)oxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] dodecanoate 结构式
Primary record

[(3R)-1-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-3,4-dihydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-(phosphonooxymethyl)oxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] dodecanoate

库存
2,597 克
纯度
98.5 %
CAS
171092-39-0

化合物标识与属性

CAS
171092-39-0
PubChem CID
56841121
SMILES
CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)COP(=O)(O)O)O
Canonical SMILES
CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](COP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1O

名称与同义词

  • Defoslimod
  • Defoslimod [INN]
  • OM 174 lipid
  • UNII-HC3530GGGG
  • HC3530GGGG
  • OM 174
  • OM-174
  • OM174
  • C52H100N2O20P2
  • C52-H100-N2-O20-P2
  • 171092-39-0
  • [(3R)-1-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-3,4-dihydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-(phosphonooxymethyl)oxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] dodecanoate
  • .ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-2-(((3R)-1-OXO-3-((1-OXODODECYL)OXY)TETRADECYL)AMINO)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-(((3R)-3-HYDROXY-1-OXOTETRADECYL)AMINO)-, 1-(DIHYDROGEN PHOSPHATE)
  • .ALPHA.-D-GLUCOPYRANOSE, 2-DEOXY-6-O-(2-DEOXY-2-((1-OXO-3-((1-OXODODECYL)OXY)TETRADECYL)AMINO)-4-O-PHOSPHONO-.BETA.-D-GLUCOPYRANOSYL)-2-((3-HYDROXY-1-OXOTETRADECYL)AMINO)-, 1-(DIHYDROGEN PHOSPHATE), (2(R),6(R))-
  • 2-DEOXY-6-O-(2-DEOXY-2-((R)-3-HYDROXYTETRADECANAMIDO)-.BETA.-D-GLUCOPYRANOSYL)-2-((R)-3-HYDROXYTETRADECANAMIDO)-.ALPHA.-D-GLUCOPYRANOSE 1,6'-BIS(DIHYDROGEN PHOSPHATE) 2'(3)-LAURATE
  • 2-Deoxy-6-O-(2-deoxy-2-((R)-3-hydroxytetradecanamido)-beta-D-glucopyranosyl)-2-((R)-3-hydroxytetradecanamido)-alpha-D-glucopyranose 1,6'-bis(dihydrogen phosphate) 2'(3)-laurate
  • 2-Deoxy-6-o-(2-deoxy-2-((R)-3-hydroxytetradecanamido)-beta-D-glucopyranosyl)-2-((R)-3-hydroxytetradecanamido)-alpha-D-glucopyranose 1,6'-bis(dihydrogen phosphate) 2'(3)-laurate.