sodium naphthalen-1-yl hydrogen phosphate

• ChemBase ID: 106138
• Molecular Formular: C10H8NaO4P
• Molecular Mass: 246.131651
• Monoisotopic Mass: 246.00578965
• SMILES: [Na+].OP(=O)([O-])Oc1c2ccccc2ccc1
• Canonical SMILES: [O-]P(=O)(Oc1cccc2c1cccc2)O.[Na+]
• InChI: InChI=1S/C10H9O4P.Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13);/q;+1/p-1
• InChIKey: DELRLFMUZXCKAR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium naphthalen-1-yl hydrogen phosphate
• IUPAC Traditional name: potassium naphthalen-1-yl hydrogen phosphate
• Synonyms: 1-Naphtylphosphat Mononatriumsalz Monohydrat; 1-NAPHTHYL PHOSPHATE MONOSODIUM SALT HYDRATE

Database IDs

• CAS Number: 81012-89-7
• PubChem SID: 162087666
• PubChem CID: 2114

CALCULATED PROPERTIES

• Acid pKa: 1.7687037
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3771822
• LogD (pH = 7.4): -1.1169077
• Log P: 2.0052922
• Molar Refractivity: 54.2403 cm^3
• Polarizability: 22.559288 Å^3
• Polar Surface Area: 69.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 02199410

A non-specific phosphatase inhibitor. Inhibits acid, alkaline and protein phosphatases.