基本情報
- CAS
119330-13-1- 標準SMILES
CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](OC4[C@@H](CO)O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](Oc8ccc([N+](=O)[O-])cc8)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)[C@H](O)[C@H]4O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1- InChIKey
WXRSFQBPFIARRL-LCWRKSLESA-N- 分子式
- C44H67NO33
- 平均分子量
- 1,138 g/mol
- 単同位体質量
- 1,137.3595336
名称と識別子
- 優先名称
- 4,6-Ethylidene-4-nitrophenyl maltoheptaoside
- IUPAC
- (4aR,6R,7R,8R,8aS)-6-[(2R,3S,4R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
- 英語名
- 4,6-ethylidene-4-nitrophenyl maltoheptaoside
- 分子式
- C44H67NO33
- 分子量
- 1137.99
名称と別名
Enp maltoheptaoside119330-13-14,6-Ethylidene-4-nitrophenyl maltoheptaosideRefChem:96683alpha-D-Glucopyranoside, 4-nitrophenyl O-4,6-O-ethylidene-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-α-D-Glucopyranoside, 4-nitrophenyl O-4,6-O-ethylidene-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-
データベース識別子
- CAS
119330-13-1- PubChem CID
- 3082964
物性
構造計算による物性
- XLogP
- -10.3
- 極性表面積
- 519 Ų
- 水素結合供与体数
- 17
- 水素結合受容体数
- 33
- 回転可能結合数
- 17
- 重原子数
- 78
- 形式電荷
- 0
- 複雑度
- 1,870
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