N-acetylglucosamine hexasaccharide 1-4
基本情報
- CAS
13319-33-0- 標準SMILES
CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H]3NC(C)=O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
QHXJHQUGUOEOLW-YZIYJOPFSA-N- 分子式
- C48H80N6O31
- 平均分子量
- 1,237.2 g/mol
- 単同位体質量
- 1,236.4867998
概要
binds to lysozyme; RN given refers to (beta D-isomer)
名称と識別子
- 優先名称
- N-acetylglucosamine hexasaccharide 1-4
- IUPAC
- N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
名称と別名
N-Acetylglucosamine hexasaccharide 1-4(Glcnac)6 (1-4)DTXSID60157983RefChem:162726DTXCID8080474beta-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-hexasaccharideinulin-type hexasaccharideSCHEMBL270954202-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranoside
データベース識別子
- CAS
13319-33-0- PubChem CID
- 3082034
- DTXSID
DTXSID60157983
物性
構造計算による物性
- XLogP
- -11.1
- 極性表面積
- 559 Ų
- 水素結合供与体数
- 20
- 水素結合受容体数
- 31
- 回転可能結合数
- 22
- 重原子数
- 85
- 形式電荷
- 0
- 複雑度
- 2,230
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