4-[(2R)-2-[(1R,3R,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione

• ChemBase编号: 179768
• 分子式: C15H23NO4
• 平均质量: 281.34742
• 单一同位素质量: 281.16270822
• SMILES: [C@H]1(C(=O)[C@@H](C[C@@H](C1)C)C)[C@@H](CC1CC(=O)NC(=O)C1)O
• Canonical SMILES: C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)O
• InChI: InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9+,11+,12+/m0/s1
• InChIKey: YPHMISFOHDHNIV-LUTQBAROSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(2R)-2-[(1R,3R,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
• IUPAC传统名: 4-[(2R)-2-[(1R,3R,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
• 别名: Isocycloheximide

登记号

• CAS号: 6746-42-5
• PubChem SID: 164235678
• PubChem CID: 6604199

理论计算性质

• Acid pKa: 11.799869
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.90476495
• LogD (pH = 7.4): 0.904748
• Log P: 0.9047651
• 摩尔折射率: 73.0893 cm^3
• 极化性: 28.922503 Å^3
• 极化表面积: 83.47 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

药理学性质

• 生物活性机理: Inhibitor of ribosome functions 1 1580

产品相关信息

• 生物来源: Isol. from Streptomyces griseus
• 应用领域: Active against Saccharomyces pastorianus; Antifungal agent

参考文献

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