disodium nonahydrate 3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl phosphate

• ChemBase编号: 155869
• 分子式: C19H34NNa2O14P
• 平均质量: 577.424861
• 单一同位素质量: 577.15122997
• SMILES: Cc1ccc(c(c1)C)NC(=O)c1cc2ccccc2cc1OP(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• Canonical SMILES: Cc1ccc(c(c1)C)NC(=O)c1cc2ccccc2cc1OP(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/C19H18NO5P.2Na.9H2O/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24;;;;;;;;;;;/h3-11H,1-2H3,(H,20,21)(H2,22,23,24);;;9*1H2/q;2*+1;;;;;;;;;/p-2
• InChIKey: GEMAPHRVLCZBIQ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium nonahydrate 3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl phosphate
• IUPAC传统名: disodium nonahydrate 3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl phosphate
• 别名: Naphthol AS-MX phosphate disodium salt nonahydrate

登记号

• CAS号: 36889-52-8
• MDL号: MFCD00150898
• PubChem SID: 24886096; 162250007
• PubChem CID: 16218422

理论计算性质

• Acid pKa: 1.7435989
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.7395818
• LogD (pH = 7.4): 0.98842096
• Log P: 4.1240196
• 摩尔折射率: 98.7345 cm^3
• 极化性: 38.582943 Å^3
• 极化表面积: 101.52 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL, clear, light yellow

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99.0% (TLC)
• 级别: for histology
• 适用性: suitable as substrate for alkaline phosphatase test
• Empirical Formula (Hill Notation): C19H16NNa2O5P · 9H2O

详细说明

Sigma Aldrich - 70495

Other Notes
Histochemical detection of alkaline phosphatase.; Enzyme-incorporated erythrocyte ghosts1