基本情報
- 標準SMILES
COCCCOc1cc(C[C@@H](C[C@H]2[C@H](C[C@H](CO)C(C)C)OC(C)(C)N2C(=O)OC(C)(C)C)C(C)C)ccc1OC- InChIKey
ZDXRFABUSUGHRE-UMNYJUJISA-N- 分子式
- C33H57NO7
- 平均分子量
- 579.8 g/mol
名称と識別子
- 優先名称
- 3-Oxazolidinecarboxylic acid, 5-[(2S)-2-(hydroxymethyl)-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S,5S)-
- IUPAC
- tert-butyl (4S,5S)-5-[(2S)-2-(hydroxymethyl)-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
名称と別名
172900-90-23-Oxazolidinecarboxylic acid, 5-[(2S)-2-(hydroxymethyl)-3-methylbutyl]-4-[(2S)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-3-methylbutyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S,5S)-SCHEMBL6044627ZDXRFABUSUGHRE-UMNYJUJISA-Ntert-butyl (4S,5S)-5-[(2S)-3-hydroxy-2-(propan-2-yl)propyl]-4-[(2S)-2-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-3-methylbutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate3-Tert-butoxycarbonyl-5(S)-(3-hydroxy-2(S)-isopropyl-propyl)-4(S)-{2(S)-isopropyl-3-[4-methoxy-3-(3-methoxypropyloxy)-phenyl]-propyl-}2,2-dimethyl-1,3-oxazolidine3-tert-butoxycarbonyl-5(S)-(3-hydroxy-2(S)-isopropyl-propyl)-4(S)-{2(S)-isopropyl-3-[4-methoxy-3-(3-methoxypropyloxy)-phenyl]-propyl}-2,2-dimethyl-1,3-oxazolidine3-tert-butoxycarbonyl-5(S)-(3-hydroxy-2(S)-isopropyl-propyl)-4(S){2(S)-isopropyl-3-[4-methoxy-3-(3-methoxypropyloxy)-phenyl]-propyl)-2,2-dimethyl-1,3-oxazolidine
データベース識別子
- PubChem CID
- 23625331
物性
構造計算による物性
- XLogP
- 6.9
- 極性表面積
- 86.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 7
- 回転可能結合数
- 17
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 765
関連反応
8 件
化合物ノート
読み込み中…