[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]phosphonic acid

• ChemBase编号: 80169
• 分子式: C10H9O6P
• 平均质量: 256.148621
• 单一同位素质量: 256.01367464
• SMILES: P(=O)(Oc1ccc2c(c1)oc(=O)cc2C)(O)O
• Canonical SMILES: O=c1cc(C)c2c(o1)cc(cc2)OP(=O)(O)O
• InChI: InChI=1S/C10H9O6P/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)
• InChIKey: BCHIXGBGRHLSBE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4-methyl-2-oxo-2H-chromen-7-yl)oxy]phosphonic acid
• IUPAC传统名: (4-methyl-2-oxochromen-7-yl)oxyphosphonic acid
• 别名: 4-甲基伞形酮磷酸酯; 4-Methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate; 4-Methylumbelliferyl-phosphoric acid; 4-Methylumbelliferyl phosphate; 4-Methylumbelliferyl phosphate (4-MUP) Liquid Substrate System

登记号

• CAS号: 3368-04-5
• EC号: 222-137-7
• MDL号: MFCD00016969
• Beilstein号: 1687229
• PubChem SID: 24897292; 162067289; 24896808
• PubChem CID: 65118

理论计算性质

• Acid pKa: 1.7821348
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -1.2559819
• LogD (pH = 7.4): -1.98815
• Log P: 1.1253238
• 摩尔折射率: 58.6844 cm^3
• 极化性: 22.577282 Å^3
• 极化表面积: 93.06 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

• 外观: liquid
• 熔点: 215-218 °C
• 荧光: λex 319 nm; λem 384 nm (pH 9.1); λex 360 nm; λem 449 nm (Reaction product)

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1760
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 20/22
• 安全公开号: 36
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 1760 8/PG 2
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥99.0% (HPLC)
• 级别: for fluorescence
• 简要说明: phosphatase substrate
• 杂质: ≤0.05% free 4-methylumbelliferone
• 产品质量级别: PREMIUM
• Empirical Formula (Hill Notation): C10H9O6P

详细说明

Sigma Aldrich - M3168

Analysis Note
4-MUP fluorescence can be measured with excitation at 360 nm and emission at 440 nm. The fluorescent end product may also be observed using a UV light source.
Application
4-Methylumbelliferyl phosphate (4-MUP) is a substrate for alkaline phosphatase which forms the soluble fluorescent substance methylumbelliferone. 4-MUP Liquid Substrate System combines 4-MUP and buffer in a ready-to-use reagent.

Sigma Aldrich - M8883

Substrates
Fluorogenic substrate for phosphatases.

Sigma Aldrich - 69607

Other Notes
Fluorogenic substrate for phosphatases. HPLC assay of alkaline phosphatase with spectrofluorometric detection1
Substrates
Fluorogenic substrate for phosphatases.