基本情報
- CAS
13088-78-3- 標準SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
PLJAKLUDUPBLGD-VLWZLFBZSA-N- 分子式
- C16H28N2O11
- 平均分子量
- 424.4 g/mol
- 単同位体質量
- 424.16930971
概要
N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-aldehydo-D-glucosamine is a member of N,N'-diacetylchitobioses. It is functionally related to a beta-D-glucosaminyl-(1->4)-aldehydo-D-glucosamine.
名称と識別子
- 優先名称
- N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-aldehydo-D-glucosamine
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
名称と別名
CHEBI:50668N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-aldehydo-D-glucosamine2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-aldehydo-D-glucose2-(acetylamino)-4-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-aldehydo-D-glucoseGlyTouCan:G17559DGRefChem:1048428G17559DGN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-D-glucose13088-78-3N-((2S,3R,4R,5S,6R)-2-(((2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamidedi-N-acetyl-chitobiose
名称をさらに表示
orb3137084SCHEMBL3517096DTXSID60926954PLJAKLUDUPBLGD-VLWZLFBZSA-NAKOS040758067HY-130778CS-0113354T40436
物性
構造計算による物性
- XLogP
- -5
- 極性表面積
- 215 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 11
- 回転可能結合数
- 10
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 563
関連反応
2 件
化合物ノート
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