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

• ChemBase ID: 102621
• Molecular Formular: C10H7Na2O6P
• Molecular Mass: 300.112281
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 4-methyl-2-oxo-2H-chromen-7-yl phosphate
• IUPAC Traditional name: disodium 4-methyl-2-oxochromen-7-yl phosphate; dipotassium 4-methyl-2-oxochromen-7-yl phosphate
• Synonyms: 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; 4-甲基伞形酮磷酸酯 二钠盐

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 1.7821348
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2559819
• LogD (pH = 7.4): -1.98815
• Log P: 1.1253238
• Molar Refractivity: 56.441 cm^3
• Polarizability: 22.351347 Å^3
• Polar Surface Area: 98.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

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

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Description: phosphatase substrate
• Quality Level: PREMIUM

DETAILS

MP Biomedicals - 02102359

Crystalline
Substrate for membrane-bound phosphodiesterases.
Disodium Salt

Sigma Aldrich - M8168

Substrates
Fluorogenic substrate for phosphatases.