Chem
J-GLOBAL ID：200907080885756208   Nikkaji number：J2.632.060G

4-[6-[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyloxy]hexylamino]-7-nitro-2,1,3-benzooxadiazole

4-[6-[4-O-(β-D-ガラクトピラノシル)-β-D-グルコピラノシルオキシ]ヘキシルアミノ]-7-ニトロ-2,1,3-ベンゾオキサジアゾール
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： C24H36N3[N+]O13[O-]
Molecular formula furigana： C24-H36-N4-O14
Molecular weight： 604.566
InChI： InChI=1S/C24H36N4O14/c29-9-13-17(31)18(32)20(34)24(39-13)41-22-14(10-30)40-23(21(35)19(22)33)38-8-4-2-1-3-7-25-11-5-6-12(28(36)37)16-15(11)26-42-27-16/h5-6,13-14,17-25,29-35H,1-4,7-10H2/t13-,14-,17+,18+,19-,20-,21-,22-,23-,24+/m1/s1
InChI key： OAJJBYWTZOVGEF-QZQIORSMSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCCCCNc3ccc([N+](=O)[O-])c4nonc34)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 4-[6-[4-O-(β-D-ガラクトピラノシル)-β-D-グルコピラノシルオキシ]ヘキシルアミノ]-7-ニトロ-2,1,3-ベンゾオキサジアゾール
  • (2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-({6-[(7-ニトロ-2,1,3-ベンゾオキサジアゾール-4-イル)アミノ]ヘキシル}オキシ)オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5R,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexyl}oxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 4-[6-[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyloxy]hexylamino]-7-nitro-2,1,3-benzooxadiazole
Thsaurus map：
Thesaurus Map

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