Methyl 6'-Desmethyl-4'-tosylmycophenolate
基本情報
- 標準SMILES
COC(=O)CC/C(C)=C/Cc1c(O)c(C)c2c(c1OS(=O)(=O)c1ccc(C)cc1)C(=O)OC2- InChIKey
KVUPZJOYMPITMD-VIZOYTHASA-N- 分子式
- C24H26O8S
- 平均分子量
- 474.5 g/mol
- 単同位体質量
- 474.13483896
名称と識別子
- 優先名称
- Methyl 6'-Desmethyl-4'-tosylmycophenolate
- IUPAC
- methyl (E)-6-[6-hydroxy-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
名称と別名
171808-04-1Methyl 6'-Desmethyl-4'-tosylmycophenolateMethyl (E)-6-(6-hydroxy-7-methyl-3-oxo-4-(tosyloxy)-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoateCHEMBL236914KVUPZJOYMPITMD-VIZOYTHASA-NMethyl 6?-Desmethyl-4?-tosylmycophenolatemethyl (E) 6-(1,3-dihydro-6-hydroxy-7-methyl-3-oxo-4-p-toluene sulfonyloxyisobenzofuran-5-yl)-4-methyl-4-hexenoatemethyl (E) 6-(1,3-dihydro-6-hydroxy-7-methyl-3-oxo-4-p-toluenesulfonyloxyisobenzofuran-5-yl)-4-methyl-4-hexenoate
データベース識別子
- PubChem CID
- 10672181
- ChEMBL
CHEMBL236914
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 125 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 9
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 837
関連反応
8 件
化合物ノート
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