Chem
J-GLOBAL ID:200907002095930045   Nikkaji number:J635.399A

Allyl 2-acetylamino-3-O-acetyl-4-O-[2-(bromomethyl)benzoyl]-2-deoxy-α-D-glucopyranoside

アリル2-アセチルアミノ-3-O-アセチル-4-O-[2-(ブロモメチル)ベンゾイル]-2-デオキシ-α-D-グルコピラノシド
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: C21H25BrNO7[O-]
Molecular formula furigana: C21-H25-BR-N-O8
Molecular weight: 499.335
InChI: InChI=1S/C21H25BrNO8/c1-4-9-23(12(2)25)17-19(29-13(3)26)18(16(11-24)30-21(17)28)31-20(27)15-8-6-5-7-14(15)10-22/h4-8,16-19,21,24H,1,9-11H2,2-3H3/q-1/t16-,17-,18-,19-,21+/m1/s1
InChI key: QXQJLXLANZLVGY-FKAKKMJLSA-N
SMILES: CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2CBr)[C@@H](CO)O[C@H]([O-])[C@@H]1N(CC=C)C(=O)C
Systematic name  (3):
  • アリル2-アセチルアミノ-3-O-アセチル-4-O-[2-(ブロモメチル)ベンゾイル]-2-デオキシ-α-D-グルコピラノシド
  • (2S,3R,4R,5S,6R)-4-(アセチルオキシ)-5-[2-(ブロモメチル)ベンゾイルオキシ]-6-(ヒドロキシメチル)-3-[N-(プロパ-2-エン-1-イル)アセトアミド]オキサン-2-オラート
  • (2S,3R,4R,5S,6R)-4-(acetyloxy)-5-[2-(bromomethyl)benzoyloxy]-6-(hydroxymethyl)-3-[N-(prop-2-en-1-yl)acetamido]oxan-2-olate
Other name (1):
  • Allyl 2-acetylamino-3-O-acetyl-4-O-[2-(bromomethyl)benzoyl]-2-deoxy-α-D-glucopyranoside
Thsaurus map:

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