基本情報
- 標準SMILES
COc1ccc(C(=O)c2sc(C(C)C)cc2OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1- InChIKey
QECDWQWVLGULPZ-UHFFFAOYSA-N- 分子式
- C29H34O12S
- 平均分子量
- 606.6 g/mol
名称と識別子
- 優先名称
- (4,5-Diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl)-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) acetate
- IUPAC
- [3,4,5-triacetyloxy-6-[2-(4-methoxybenzoyl)-5-propan-2-ylthiophen-3-yl]oxyoxan-2-yl]methyl acetate
名称と別名
SCHEMBL3684495QECDWQWVLGULPZ-UHFFFAOYSA-N(4,5-diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl )-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) acetate(4,5-Diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl)-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) acetate(4,5-diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl)-thiophen-3-yloxy]-tetrahydro-pyran-3-yl) actate(4,5-Diacetoxy-6-acetoxymethyl-2-[5-isopropyl-2-(4-methoxy-benzoyl)-thiophen-3-yloxy]-tetrahydro-pyran-3yl) acetate
データベース識別子
- PubChem CID
- 21045301
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 178 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 13
- 回転可能結合数
- 15
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 978
関連反応
5 件
化合物ノート
読み込み中…