基本情報
- CAS
948295-15-6- 標準SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@@H]1O- InChIKey
CZOGCRVBCLRHQJ-NAFGUXDZSA-N- 分子式
- C19H32N2O14
- 平均分子量
- 512.5 g/mol
- 単同位体質量
- 512.1853537
概要
N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine is an amino disaccharide composed of N-acetylneuraminic acid and N-acetyl-alpha-D-galactosamine residues linked (26). It has a role as an epitope. It is an amino disaccharide and a galactosamine oligosaccharide.
名称と識別子
- 優先名称
- N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- 英語名
- 2-acetaMido-2-deoxy-6-O-Sialyl-D-galactopyranoside (Sia--2,6-GalNAc)
- 分子式
- C19H32N2O14
- 分子量
- 512.47
名称と別名
CHEBI:71557N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamineGlyTouCan:G08244HVRefChem:1048433G08244HV(5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulopyranosylonic acid)-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose;5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranoseNeu5Acbeta2-6GalNAcalphabeta-N-acetylneuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine(5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulopyranosylonic acid)-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranoseNeu5Acb2-6GalNAcaEpitope ID:423178
名称をさらに表示
2-acetaMido-2-deoxy-6-O-Sialyl-D-galactopyranoside (Sia--2,6-GalNAc)α-D-Galactopyranose, 2-(acetylamino)-6-O-(N-acetyl-β-neuraminosyl)-2-deoxy-(2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
beta-Neu5Ac-(2->6)-alpha-D-GalNAcbeta-Neup5Ac-(2->6)-alpha-D-GalpNAcQ27139707
データベース識別子
- CAS
948295-15-6- PubChem CID
- 70698369
- ChEBI
CHEBI:71557
物性
構造計算による物性
- XLogP
- -5.6
- 極性表面積
- 265 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 14
- 回転可能結合数
- 9
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 770
物理化学的性質
- 沸点
- 1045.5 · 1045.5±65.0 °C(Predicted)
- 比重(密度)
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 2.01 · 2.01±0.70(Predicted)
関連反応
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