2-amino-6-hydroxyhexanoic acid

• ChemBase编号: 171017
• 分子式: C6H13NO3
• 平均质量: 147.17232
• 单一同位素质量: 147.08954328
• SMILES: C(CCCCO)(N)C(=O)O
• Canonical SMILES: OCCCCC(C(=O)O)N
• InChI: InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)
• InChIKey: OLUWXTFAPJJWPL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-6-hydroxyhexanoic acid
• IUPAC传统名: 6-hydroxy-L-norleucine
• 别名: 6-Hydroxy-norleucine; (ε-Hydroxy-DL-norleucine; ε-Hydroxynorleucine; 6-Hydroxy-DL-norleucine; DL-ε-Hydroxynorleucine; Hexahomoserine; NSC 16535; NSC 32041; DL-6-Hydroxy Norleucine

登记号

• CAS号: 305-77-1
• PubChem SID: 164226927
• PubChem CID: 233487

理论计算性质

• Acid pKa: 2.4582765
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -2.866048
• LogD (pH = 7.4): -2.8687441
• Log P: -2.8659077
• 摩尔折射率: 36.152 cm^3
• 极化性: 14.5027485 Å^3
• 极化表面积: 83.55 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H948855

An intermediate for antiviral and antihypertensive drugs.

参考文献

• Kaufman, S., et al.: J. Biol. Chem., 257, 14667 (1982)
• Hanson, R., et al.: Bioorg. Chem., 18, 116 (1982)
• Oshima, T., et al.: J. Bacteriol., 173, 3943 (1982)
• Oshima, T., et al.: Eur. J. Biochem., 222, 305 (1982)
• Robl, J., et al.: J. Med. Chem., 40, 157