sodium [hydroxy(phenyl)methyl]phosphinate

• ChemBase ID: 170280
• Molecular Formular: C7H8NaO3P
• Molecular Mass: 194.100151
• Monoisotopic Mass: 194.01087503
• SMILES: c1ccc(cc1)C(P(=O)[O-])O.[Na+]
• Canonical SMILES: OC(c1ccccc1)P(=O)[O-].[Na+]
• InChI: InChI=1S/C7H9O3P.Na/c8-7(11(9)10)6-4-2-1-3-5-6;/h1-5,7-8,11H,(H,9,10);/q;+1/p-1
• InChIKey: UVDFAEQYRCPBRQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium [hydroxy(phenyl)methyl]phosphinate
• IUPAC Traditional name: sodium hydroxy(phenyl)methylphosphinate
• Synonyms: P-(Hydroxyphenylmethyl)phosphinic Acid Sodium Salt; (Hydroxyphenylmethyl)phosphinic Acid Sodium Salt; (α-Hydroxybenzyl)phosphonous Acid Sodium Salt; Phos; Phoselit; Phosilite; α-Hydroxybenzylphosphinic Acid Sodium Salt

Database IDs

• CAS Number: 7492-18-4
• PubChem SID: 164226190
• PubChem CID: 23675756

CALCULATED PROPERTIES

• Acid pKa: 1.5214483
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8593495
• LogD (pH = 7.4): -1.8674954
• Log P: 0.3962
• Molar Refractivity: 40.3184 cm^3
• Polarizability: 16.44057 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - H829960

The Na salt of α-hydroxybenzylphosphinic acid (Phos) is a prototype. It is harmless. Like insulin, it promotes the formation of glycogen in the isolated rat diaphragm in oxygenated glucose-Ringer solution and decreases the breakdown of glycogen provoked b

REFERENCES

• Blum, F., et al.: Helvetica Physiologica Pharmacologica Acta, 8, 272 (1950)