sodium hydrate naphthalen-1-yl hydrogen phosphate

• ChemBase编号: 134401
• 分子式: C10H10NaO5P
• 平均质量: 264.146931
• 单一同位素质量: 264.01635433
• SMILES: c1ccc2c(c1)cccc2OP(=O)(O)[O-].O.[Na+]
• Canonical SMILES: [O-]P(=O)(Oc1cccc2c1cccc2)O.O.[Na+]
• InChI: InChI=1S/C10H9O4P.Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;1H2/q;+1;/p-1
• InChIKey: NSWUDGODQXQNON-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium hydrate naphthalen-1-yl hydrogen phosphate
• IUPAC传统名: sodium hydrate naphthalen-1-yl hydrogen phosphate
• 别名: 1-萘基磷酸酯 单钠盐 一水合物; 1-磷酸萘基酯单钠盐单水合物; α-Naphthyl phosphate monosodium salt monohydrate; Sodium 1-naphthyl phosphate monohydrate; 1-Naphthyl phosphate monosodium salt monohydrate; Monosodium 1-naphthyl phosphate monohydrate

登记号

• CAS号: 81012-89-7
• EC号: 220-171-7
• MDL号: MFCD00150615
• Beilstein号: 1877764
• PubChem SID: 162228677; 24897801
• PubChem CID: 23702143

理论计算性质

• Acid pKa: 1.7687037
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.3771822
• LogD (pH = 7.4): -1.1169077
• Log P: 2.0052922
• 摩尔折射率: 54.2403 cm^3
• 极化性: 22.559288 Å^3
• 极化表面积: 69.59 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL; H2O: soluble50 mg/mL, clear, colorless
• 外观: white to off-white powder
• 熔点: 186-191°C

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (titration); ≥98.0% (HPLC); 98+%
• 杂质: ≤0.1% free naphthol
• 线性分子式: C10H7OP(O)(OH)(ONa) · H2O

详细说明

Sigma Aldrich - N7000

Application
Preferred substrate for bioanalytical determinations of acid phosphatases, such as prostatic acid phosphatase.
Biochem/physiol Actions
Non-specific phosphatase inhibitor. Inhibits acid, alkaline and protein phosphatases.

Sigma Aldrich - 71090

Application
Preferred substrate for bioanalytical determinations of acid phosphatases, such as prostatic acid phosphatase.
Substrate for phosphatases. Has been used in a continuous assay for acid phosphatase.1
Biochem/physiol Actions
Non-specific phosphatase inhibitor. Inhibits acid, alkaline and protein phosphatases.

参考文献

• Substrate for phosphatase: J. Biol. Chem., 7, 190 (1951).