基本情報
- CAS
24667-51-4- 標準SMILES
CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
DUKURNFHYQXCJG-SFFAKPFPSA-N- 分子式
- C32H55NO25
- 平均分子量
- 853.8 g/mol
- 単同位体質量
- 853.30631624
概要
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide is an oligosaccharide.
名称と識別子
- 優先名称
- O-6-Deoxy-alpha-L-galactopyranosyl-(1->4)-O-(beta-D-galactopyranosyl-(1->3))-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
- 英語名
- alpha-L-Fucp-(1->4)-[beta-D-Galp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp
- 分子式
- C32H55NO25
- 分子量
- 853.77
名称と別名
24667-51-4DTXSID001099410RefChem:366318GlyTouCan:G26123AXDTXCID501531146G26123AXO-6-Deoxy-alpha-L-galactopyranosyl-(1->4)-O-(beta-D-galactopyranosyl-(1->3))-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosebeta-D-Glucopyranose, O-6-deoxy-alpha-L-galactopyranosyl-(1-->4)-O-[beta-D-galactopyranosyl-(1-->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-->3)-O-beta-D-galactopyranosyl-(1-->4)-SCHEMBL30653745CHEBI:148624Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)Gal(b1-4)b-Glcbeta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
名称をさらに表示
LNF II-PA14alpha-L-Fucp-(1->4)-[beta-D-Galp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp
物性
構造計算による物性
- XLogP
- -9.6
- 極性表面積
- 416 Ų
- 水素結合供与体数
- 16
- 水素結合受容体数
- 25
- 回転可能結合数
- 13
- 重原子数
- 58
- 形式電荷
- 0
- 複雑度
- 1,310
物理化学的性質
- 沸点
- 1191.1 · 1191.1±65.0 °C(Predicted)
- 比重(密度)
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.02 · 12.02±0.70(Predicted)
化学と産業
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