Chem
J-GLOBAL ID:200907050143097711   Nikkaji number:J2.665.001A

N-(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyloxy)-4-(2-propynyloxy)benzamide

N-(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)-4-(2-プロピニルオキシ)ベンズアミド
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: C22H29NO13
Molecular formula furigana: C22-H29-N-O13
Molecular weight: 515.467
InChI: InChI=1S/C22H29NO13/c1-2-7-32-11-5-3-10(4-6-11)20(31)23-36-22-18(30)16(28)19(13(9-25)34-22)35-21-17(29)15(27)14(26)12(8-24)33-21/h1,3-6,12-19,21-22,24-30H,7-9H2,(H,23,31)/t12-,13-,14+,15+,16-,17-,18-,19-,21+,22+/m1/s1
InChI key: ZPWNOBYBXHCHEO-CGUIUWRHSA-N
SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](ONC(=O)c3ccc(OCC#C)cc3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3):
  • N-(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)-4-(2-プロピニルオキシ)ベンズアミド
  • N-{[(2S,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5R,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}オキサン-2-イル]オキシ}-4-(プロパ-2-イン-1-イルオキシ)ベンズアミド
  • N-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-(prop-2-yn-1-yloxy)benzamide
Other name (1):
  • N-(4-O-β-D-Galactopyranosyl-β-D-glucopyranosyloxy)-4-(2-propynyloxy)benzamide
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