CAS 22919-26-2|4-Methyl-7-(phosphonooxy)-2H-1-benzopyran-2-one sodium salt|4-Methylumbelliferyl phosphate sodium salt|4-METHYLUMBELLIFERYL PHOSPHATE DISODIUM SALT|dipotassium 4-methyl-2-oxochromen-7...

General Information

Structure

Molecular Formula

C₁₀H₇Na₂O₆P

Molecular Mass

300.112281

Exact Mass

299.97756314

Charge

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

Canonic Smiles

O=c1cc(C)c2c(o1)cc(cc2)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric Smiles

[Na+].[Na+].Cc1cc(=O)oc2c1ccc(OP(=O)([O-])[O-])c2

Calculated Properties

JChem

Acid pKa

1.7821348

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2559819

LogD (pH = 7.4)

-1.98815

Log P

1.1253238

Molar Refractivity

56.441

Polarizability

22.351347

Polar Surface Area

98.72

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-Methyl-7-(phosphonooxy)-2H-1-benzopyran-2-one sodium salt4-Methylumbelliferyl phosphate sodium salt4-METHYLUMBELLIFERYL PHOSPHATE DISODIUM SALTDisodium 4-methylumbelliferyl phosphate4-甲基伞形酮磷酸酯二钠盐4-Methylumbelliferyl phosphate disodium salt4-MUP

IUPAC Traditional name

dipotassium 4-methyl-2-oxochromen-7-yl phosphate disodium 4-methyl-2-oxochromen-7-yl phosphate

IUPAC name

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

Names and Identifiers

Registration numbers

EC Number

245-325-0

CAS Number

22919-26-2

MDL Number

MFCD00037614