disodium naphthalen-2-yl phosphate

• ChemBase ID: 102644
• Molecular Formular: C10H7Na2O4P
• Molecular Mass: 268.113481
• Monoisotopic Mass: 267.9877339
• SMILES: [Na+].[Na+].[O-]P(=O)([O-])Oc1ccc2ccccc2c1
• Canonical SMILES: [O-]P(=O)(Oc1ccc2c(c1)cccc2)[O-].[Na+].[Na+]
• InChI: InChI=1S/C10H9O4P.2Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-2
• InChIKey: HZCLXKFIXXQHKE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium naphthalen-2-yl phosphate
• IUPAC Traditional name: dipotassium naphthalen-2-yl phosphate
• Synonyms: 2-Naphthyl phosphate disodium salt; β-NAPHTHYL PHOSPHATE DISODIUM SALT

Database IDs

• CAS Number: 31681-98-8
• EC Number: 250-763-0
• PubChem SID: 162090223
• PubChem CID: 18408196

CALCULATED PROPERTIES

• Acid pKa: 1.7865009
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3756417
• LogD (pH = 7.4): -1.1054822
• Log P: 2.0052922
• Molar Refractivity: 53.1186 cm^3
• Polarizability: 22.445927 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02102427

Disodium Salt
Crystalline
Substrate for determination of phosphatases.