2-methyl-1-phenylpropan-2-yl-2-((4R,6S)-2,2-dimethyl-6-((1-phenyl-1H-tetrazol-5-ylsulfonyl)methyl)-1,3-dioxan-4-yl)acetate
基本情報
- 標準SMILES
CC(Cc1ccccc1)C(C)(C(=O)[O-])[C@H]1C[C@@H](CS(=O)(=O)c2nnnn2-c2ccccc2)OC(C)(C)O1- InChIKey
FULYFUQYZMRBNN-HSBSMJESSA-M- 分子式
- C26H31N4O6S-
- 平均分子量
- 527.6 g/mol
名称と識別子
- 優先名称
- 2-methyl-1-phenylpropan-2-yl-2-((4R,6S)-2,2-dimethyl-6-((1-phenyl-1H-tetrazol-5-ylsulfonyl)methyl)-1,3-dioxan-4-yl)acetate
- IUPAC
- 2-[(4R,6S)-2,2-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfonylmethyl]-1,3-dioxan-4-yl]-2,3-dimethyl-4-phenylbutanoate
名称と別名
FULYFUQYZMRBNN-HSBSMJESSA-M2-methyl-1-phenylpropan-2-yl-2-((4R,6S)-2,2-dimethyl-6-((1-phenyl-1H-tetrazol-5-ylsulfonyl)methyl)-1,3-dioxan-4-yl)acetate
データベース識別子
- PubChem CID
- 86762033
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 145 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 8
- 重原子数
- 37
- 形式電荷
- -1
- 複雑度
- 878
関連反応
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化合物ノート
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