Chem
J-GLOBAL ID:200907073654702958   Nikkaji number:J1.623.752C

(2S)-1-(α-D-Galactopyranosyloxy)-2-(pentacosanoylamino)octadecane

[(2S)-2-(ペンタコサノイルアミノ)オクタデカン]-1-イルα-D-ガラクトピラノシド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C49H97NO7
Molecular formula furigana: C49-H97-N-O7
Molecular weight: 812.315
InChI: InChI=1S/C49H97NO7/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-45(52)50-43(42-56-49-48(55)47(54)46(53)44(41-51)57-49)39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h43-44,46-49,51,53-55H,3-42H2,1-2H3,(H,50,52)/t43-,44+,46-,47-,48+,49-/m0/s1
InChI key: DNIHNLPDLIWHAW-CKMONTJXSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCCCCCCCCCCCCC)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (4):
  • [(2S)-2-(ペンタコサノイルアミノ)オクタデカン]-1-イルα-D-ガラクトピラノシド
  • (2S)-1-(α-D-ガラクトピラノシルオキシ)-2-(ペンタコサノイルアミノ)オクタデカン
  • N-[(2S)-1-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オクタデカン-2-イル]ペンタコサンアミド
  • N-[(2S)-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadecan-2-yl]pentacosanamide
Other name (2):
  • [(2S)-2-(Pentacosanoylamino)octadecane]-1-yl α-D-galactopyranoside
  • (2S)-1-(α-D-Galactopyranosyloxy)-2-(pentacosanoylamino)octadecane
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