Chem
J-GLOBAL ID：200907096290476710   Nikkaji number：J795.862E

(S)-1-[(4-Methoxybenzyl)oxy]-3-[[2-O,3-O,4-O-tris(4-azidobutanoyl)-6-O-(tert-butyldimethylsilyl)-β-D-glucopyranosyl]oxy]butane

(S)-1-[(4-メトキシベンジル)オキシ]-3-[[2-O,3-O,4-O-トリス(4-アジドブタノイル)-6-O-(tert-ブチルジメチルシリル)-β-D-グルコピラノシル]オキシ]ブタン
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： C36H57N3[N-]3[N+]3O11Si
Molecular formula furigana： C36-H57-N9-O11-SI
Molecular weight： 819.989
InChI： InChI=1S/C36H57N9O11Si/c1-25(18-22-50-23-26-14-16-27(49-5)17-15-26)52-35-34(56-31(48)13-10-21-42-45-39)33(55-30(47)12-9-20-41-44-38)32(54-29(46)11-8-19-40-43-37)28(53-35)24-51-57(6,7)36(2,3)4/h14-17,25,28,32-35H,8-13,18-24H2,1-7H3/t25-,28+,32+,33-,34+,35+/m0/s1
InChI key： KEMFXFONLNFIMG-LTHGIWHKSA-N
SMILES： COc1ccc(COCC[C@H](C)O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)CCCN=[N+]=[N-])[C@H](OC(=O)CCCN=[N+]=[N-])[C@H]2OC(=O)CCCN=[N+]=[N-])cc1
Systematic name  (3)：
  • (S)-1-[(4-メトキシベンジル)オキシ]-3-[[2-O,3-O,4-O-トリス(4-アジドブタノイル)-6-O-(tert-ブチルジメチルシリル)-β-D-グルコピラノシル]オキシ]ブタン
  • (2R,3R,4S,5R,6R)-4,5-ビス[(4-アジドブタノイル)オキシ]-2-{[(tert-ブチルジメチルシリル)オキシ]メチル}-6-{[(2S)-4-[(4-メトキシフェニル)メトキシ]ブタン-2-イル]オキシ}オキサン-3-イル 4-アジドブタノアート
  • (2R,3R,4S,5R,6R)-4,5-bis[(4-azidobutanoyl)oxy]-2-{[(tert-butyldimethylsilyl)oxy]methyl}-6-{[(2S)-4-[(4-methoxyphenyl)methoxy]butan-2-yl]oxy}oxan-3-yl 4-azidobutanoate
Other name (1)：
  • (S)-1-[(4-Methoxybenzyl)oxy]-3-[[2-O,3-O,4-O-tris(4-azidobutanoyl)-6-O-(tert-butyldimethylsilyl)-β-D-glucopyranosyl]oxy]butane
Thsaurus map：
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