Chem
J-GLOBAL ID：200907057573466464   Nikkaji number：J2.632.061E

4-[10-[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyloxy]decylamino]-7-nitro-2,1,3-benzooxadiazole

4-[10-[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]デシルアミノ]-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： C28H44N3[N+]O13[O-]
Molecular formula furigana： C28-H44-N4-O14
Molecular weight： 660.674
InChI： InChI=1S/C28H44N4O14/c33-13-17-21(35)22(36)24(38)28(43-17)45-26-18(14-34)44-27(25(39)23(26)37)42-12-8-6-4-2-1-3-5-7-11-29-15-9-10-16(32(40)41)20-19(15)30-46-31-20/h9-10,17-18,21-29,33-39H,1-8,11-14H2/t17-,18-,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1
InChI key： SKIMCXQIUQIMSH-CQTPEWEZSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCCCCCCCCNc3ccc([N+](=O)[O-])c4nonc34)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 4-[10-[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]デシルアミノ]-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-({10-[(7-ニトロ-2,1,3-ベンゾオキサジアゾール-4-イル)アミノ]デシル}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-({10-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]decyl}oxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 4-[10-[4-O-(β-D-Galactopyranosyl)-β-D-glucopyranosyloxy]decylamino]-7-nitro-2,1,3-benzooxadiazole
Thsaurus map：
Thesaurus Map

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