[(2-hydroxynaphthalen-1-yl)methyl]phosphonic acid

• ChemBase编号: 105374
• 分子式: C11H11O4P
• 平均质量: 238.176401
• 单一同位素质量: 238.03949546
• SMILES: Oc1c(CP(=O)(O)O)c2c(cccc2)cc1
• Canonical SMILES: Oc1ccc2c(c1CP(=O)(O)O)cccc2
• InChI: InChI=1S/C11H11O4P/c12-11-6-5-8-3-1-2-4-9(8)10(11)7-16(13,14)15/h1-6,12H,7H2,(H2,13,14,15)
• InChIKey: MUXZJLFAEIFJFU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(2-hydroxynaphthalen-1-yl)methyl]phosphonic acid
• IUPAC传统名: (2-hydroxynaphthalen-1-yl)methylphosphonic acid
• 别名: HNMPA; HYDROXY-2-NAPHTHALENYLMETHYLPHOSPHONIC ACID

登记号

• PubChem SID: 162105896
• PubChem CID: 44134768

理论计算性质

• Acid pKa: 1.7314836
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -1.02556
• LogD (pH = 7.4): -1.1077453
• Log P: 1.2665445
• 摩尔折射率: 60.3455 cm^3
• 极化性: 24.433151 Å^3
• 极化表面积: 77.76 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 纯度: 98%

详细说明

MP Biomedicals - 02159940

Purity: 98%
Impermeable insulin receptor tyrosine kinase inhibitor. Inhibits autophosphorylation of both tyrosine and serine.

参考文献

• Saperstein, R., et al., Biochemistry , 28 : 5694, (1989).
• Baltensperger, K., et al., Proc. Natl. Acad. Sci. USA, 89 : 7885, (1992).