disodium 4-methyl-2-oxo-2H-chromen-7-yl phosphate

• ChemBase编号: 102621
• 分子式: C10H7Na2O6P
• 平均质量: 300.112281
• 单一同位素质量: 299.97756314
• SMILES: [Na+].[Na+].Cc1cc(=O)oc2c1ccc(OP(=O)([O-])[O-])c2
• Canonical SMILES: O=c1cc(C)c2c(o1)cc(cc2)OP(=O)([O-])[O-].[Na+].[Na+]
• InChI: InChI=1S/C10H9O6P.2Na/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14;;/h2-5H,1H3,(H2,12,13,14);;/q;2*+1/p-2
• InChIKey: WUUDJQVNZPEPKN-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 4-methyl-2-oxo-2H-chromen-7-yl phosphate
• IUPAC传统名: disodium 4-methyl-2-oxochromen-7-yl phosphate; dipotassium 4-methyl-2-oxochromen-7-yl phosphate
• 别名: 4-甲基伞形酮磷酸酯 二钠盐; 4-MUP; 4-Methylumbelliferyl phosphate disodium salt; 4-Methylumbelliferyl phosphate sodium salt; 4-Methyl-7-(phosphonooxy)-2H-1-benzopyran-2-one sodium salt; Disodium 4-methylumbelliferyl phosphate; 4-METHYLUMBELLIFERYL PHOSPHATE DISODIUM SALT

登记号

• CAS号: 22919-26-2
• EC号: 245-325-0
• MDL号: MFCD00037614
• PubChem SID: 162088160; 24897230
• PubChem CID: 89903

理论计算性质

• Acid pKa: 1.7821348
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -1.2559819
• LogD (pH = 7.4): -1.98815
• Log P: 1.1253238
• 摩尔折射率: 56.441 cm^3
• 极化性: 22.351347 Å^3
• 极化表面积: 98.72 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

• 熔点: 194-198°C
• 荧光: λex 319 nm; λem 384 nm (pH 9.0); λex 360 nm; λem 449 nm (Reaction product)

安全信息

• 保存条件: 0°C
• 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

• 简要说明: phosphatase substrate
• 产品质量级别: PREMIUM

详细说明

MP Biomedicals - 02102359

Crystalline
Substrate for membrane-bound phosphodiesterases.
Disodium Salt

Sigma Aldrich - M8168

Substrates
Fluorogenic substrate for phosphatases.