基本情報
- 標準SMILES
CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
BALZLMWCNFHKBM-IXEGKZDVSA-N- 分子式
- C38H51BrO25
- 平均分子量
- 987.7 g/mol
名称と識別子
- 優先名称
- Glc2Ac3Ac4Ac6Ac(a1-4)Glc2Ac3Ac6Ac(a1-4)a-Glc1Br2Ac3Ac6Ac
- IUPAC
- [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
名称と別名
60438-67-7O-2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl-(1-->4)-O-2,3,6-tri-O-acetyl-alpha-D-glucopyranosyl-(1-->4)-alpha-D-Glucopyranosyl Bromide Triacetate (Stabilized with 2.5% CaCO3)O-2,3,4,6-Tetra-O-acetyl-Alpha-D-glucopyranosyl-(1?4)-O-2,3,6-tri-O-acetyl-Alpha-D-glucopyranosyl-(1?4)-Alpha-D-Glucopyranosyl Bromide Triacetate (Stabilized with 2.5% CaCO3)BALZLMWCNFHKBM-IXEGKZDVSA-N2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-acetyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-acetyl-alpha-D-glucopyranosyl bromide2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-acetyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-acetyl-alpha-D-glucopyranosyl-bromide2,3,6-Tri-o-acetyl-4-o-(2,3,6-tri-o-acetyl-4-o-(2,3,4,6-tetra-o-acetyl-a-d-glucopyranosyl)-a-d-glucopyranosyl)-a-d-glucopyranosyl bromideO-2,3,4,6-Tetra-O-acetyl-a-D-glucopyranosyl-(1?4)-O-2,3,6-tri-O-acetyl-a-D-glucopyranosyl-(1?4)-a-D-Glucopyranosyl Bromide Triacetate (Stabilized with 2.5% CaCO3)O-2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl-(1-4)-O-2,3,6-tri-O-acetyl-alpha-D-glucopyranosyl-(1-4)-alpha-D-Glucopyranosyl Bromide Triacetate
データベース識別子
物性
構造計算による物性
- XLogP
- -0.2
- 極性表面積
- 309 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 25
- 回転可能結合数
- 27
- 重原子数
- 64
- 形式電荷
- 0
- 複雑度
- 1,740
関連反応
2 件
化合物ノート
読み込み中…