Methanesulfonic acid (4S,5S)-5-[(S)-((R)-2,2-dimethyl-[1,3]dioxolan-4-YL)-methanesulfonyloxy-methyl]-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester
基本情報
- CAS
7115-24-4- 標準SMILES
CC1(C)O[C@H]([C@@H](OS(C)(=O)=O)[C@H]2COC(C)(C)O2)[C@H](COS(C)(=O)=O)O1- InChIKey
GSDSCWGTQKUWGC-RHYQMDGZSA-N- 分子式
- C14H26O10S2
- 平均分子量
- 418.5 g/mol
- 単同位体質量
- 418.09673937
名称と識別子
- 優先名称
- Methanesulfonic acid (4S,5S)-5-[(S)-((R)-2,2-dimethyl-[1,3]dioxolan-4-YL)-methanesulfonyloxy-methyl]-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl ester
- IUPAC
- [(4S,5S)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-methylsulfonyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonate
名称と別名
7115-24-4METHANESULFONIC ACID (4S,5S)-5-[(S)-((R)-2,2-DIMETHYL-[1,3]DIOXOLAN-4-YL)-METHANESULFONYLOXY-METHYL]-2,2-DIMETHYL-[1,3]DIOXOLAN-4-YLMETHYL ESTERSCHEMBL6102466DTXSID10452379GSDSCWGTQKUWGC-RHYQMDGZSA-NAG-G-78469methanesulfonic acid {(4R)-(2,2-dimethyl[1,3]dioxolan-4-yl)}-{(4S,5S)-(5-methanesulfonyloxymethyl-2,2-dimethyl[1,3]dioxolan-4-yl)}-(S)methyl ester(S)-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl][(4S,5S)-5-{[(methanesulfonyl)oxy]methyl}-2,2-dimethyl-1,3-dioxolan-4-yl]methyl methanesulfonateMethanesulfonic acid (4S,5S)-5-[(S)-((R)-2,2-dimethyl-[1,3]dioxolan-4-yl)-methanesulfonyloxy-methyl]-2,2- dimethyl-[1,3]dioxolan-4-ylmethyl ester
データベース識別子
- CAS
7115-24-4- PubChem CID
- 11026162
- DTXSID
DTXSID10452379
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 140 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 10
- 回転可能結合数
- 7
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 701
関連反応
2 件
化合物ノート
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