基本情報
- CAS
5450-26-0- 標準SMILES
CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](OS(C)(=O)=O)[C@H]2O1- InChIKey
CLCAOXSGSHWACR-KAMPLNKDSA-N- 分子式
- C13H22O8S
- 平均分子量
- 338.38 g/mol
- 単同位体質量
- 338.10353883
名称と識別子
- 優先名称
- 1,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-alpha-D-glucofuranose
- IUPAC
- [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate
名称と別名
5450-26-01,2:5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-alpha-D-glucofuranose(3AR,5R,6S,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl methanesulfonate(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl methanesulfonate[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonateEINECS 226-675-3AI3-61546SCHEMBL5665101DTXSID9011457573-O-Methylsulphonyl-1,2,5,6-di-O-isopropylidene-alpha-D-glucofuranoseMFCD09752163MD06143
名称をさらに表示
5,6-di-O-isopropylidene-alpha-D-glucofuranose1,2:5,6-Di-O-isopropylidene-3-O-methanesulfonyl-?-D-glucofuranose5,6-Di-O-isopropylidene-3-O-(methylsulfonyl)-alpha-D-glucofuranose1.2.5.6-Di-O-isopropylidene-3-O-methylsulfonyl-alpha-D-glucofuranoseD-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-methanesulfonateI+/--D-Glucofuranose, 1,2:5,6-bis-O-(1-methylethylidene)-, 3-methanesulfonate(3AR,5R,6S,6aR)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-ylmethanesulfonate(3aR,5R,6S,6aR)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl methanesulfonate
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 97.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 537
関連反応
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