Chem
J-GLOBAL ID：201607010267767514   Nikkaji number：J3.463.697D

(E)-4,4′-Bis[2-O,3-O,4-O-triacetyl-6-(2-chloroacetylamino)-6-deoxy-β-D-glucopyranosyloxy]azobenzene

(E)-4,4′-ビス[2-O,3-O,4-O-トリアセチル-6-(2-クロロアセチルアミノ)-6-デオキシ-β-D-グルコピラノシルオキシ]アゾベンゼン
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： C40H46Cl2N4O18
Molecular formula furigana： C40-H46-CL2-N4-O18
Molecular weight： 941.720
InChI： InChI=1S/C40H46Cl2N4O18/c1-19(47)55-33-29(17-43-31(53)15-41)63-39(37(59-23(5)51)35(33)57-21(3)49)61-27-11-7-25(8-12-27)45-46-26-9-13-28(14-10-26)62-40-38(60-24(6)52)36(58-22(4)50)34(56-20(2)48)30(64-40)18-44-32(54)16-42/h7-14,29-30,33-40H,15-18H2,1-6H3,(H,43,53)(H,44,54)/b46-45+/t29-,30-,33-,34-,35+,36+,37-,38-,39-,40-/m1/s1
InChI key： ZDOHJVVJSJAGKR-MJLUIEPISA-N
SMILES： CC(=O)O[C@@H]1[C@@H](CNC(=O)CCl)O[C@@H](Oc2ccc(cc2)/N=N/c2ccc(O[C@@H]3O[C@H](CNC(=O)CCl)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)cc2)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3)：
  • (E)-4,4′-ビス[2-O,3-O,4-O-トリアセチル-6-(2-クロロアセチルアミノ)-6-デオキシ-β-D-グルコピラノシルオキシ]アゾベンゼン
  • (2S,3R,4S,5R,6R)-4,5-ビス(アセチルオキシ)-6-[(2-クロロアセトアミド)メチル]-2-{4-[(1E)-2-(4-{[(2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(2-クロロアセトアミド)メチル]オキサン-2-イル]オキシ}フェニル)ジアゼン-1-イル]フェノキシ}オキサン-3-イル アセタート
  • (2S,3R,4S,5R,6R)-4,5-bis(acetyloxy)-6-[(2-chloroacetamido)methyl]-2-{4-[(1E)-2-(4-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(2-chloroacetamido)methyl]oxan-2-yl]oxy}phenyl)diazen-1-yl]phenoxy}oxan-3-yl acetate
Other name (1)：
  • (E)-4,4′-Bis[2-O,3-O,4-O-triacetyl-6-(2-chloroacetylamino)-6-deoxy-β-D-glucopyranosyloxy]azobenzene
Thsaurus map：
Thesaurus Map

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