Chem
J-GLOBAL ID：200907040731896226   Nikkaji number：J1.222.092H

N,N′-Bis[3-(α-D-mannopyranosyloxy)propyl]-5-(azidomethyl)isophthalamide

N,N′-ビス[3-(α-D-マンノピラノシルオキシ)プロピル]-5-(アジドメチル)イソフタルアミド
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： C27H41N3[N-][N+]O14
Molecular formula furigana： C27-H41-N5-O14
Molecular weight： 659.646
InChI： InChI=1S/C27H41N5O14/c28-32-31-10-13-7-14(24(41)29-3-1-5-43-26-22(39)20(37)18(35)16(11-33)45-26)9-15(8-13)25(42)30-4-2-6-44-27-23(40)21(38)19(36)17(12-34)46-27/h7-9,16-23,26-27,33-40H,1-6,10-12H2,(H,29,41)(H,30,42)/t16-,17-,18-,19-,20+,21+,22+,23+,26+,27+/m1/s1
InChI key： GKRIMQPDERYOML-LHMXEDMUSA-N
SMILES： OC[C@H]1O[C@H](OCCCNC(=O)c2cc(CN=[N+]=[N-])cc(c2)C(=O)NCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • N,N′-ビス[3-(α-D-マンノピラノシルオキシ)プロピル]-5-(アジドメチル)イソフタルアミド
  • 5-(アジドメチル)-N1,N3-ビス(3-{[(2S,3S,4S,5S,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}プロピル)ベンゼン-1,3-ジカルボキサミド
  • 5-(azidomethyl)-N1,N3-bis(3-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl)benzene-1,3-dicarboxamide
Other name (1)：
  • N,N′-Bis[3-(α-D-mannopyranosyloxy)propyl]-5-(azidomethyl)isophthalamide
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