potassium naphthalen-1-yl sulfate

• ChemBase ID: 102126
• Molecular Formular: C10H7KO4S
• Molecular Mass: 262.32348
• Monoisotopic Mass: 261.97021138
• SMILES: [K+].[O-]S(=O)(=O)Oc1c2ccccc2ccc1
• Canonical SMILES: [O-]S(=O)(=O)Oc1cccc2c1cccc2.[K+]
• InChI: InChI=1S/C10H8O4S.K/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1
• InChIKey: UUFYFJKBDIRBJH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium naphthalen-1-yl sulfate
• IUPAC Traditional name: potassium ion naphthalen-1-yl sulfate
• Synonyms: α-NAPHTHYLSULFATE POTASSIUM SALT

Database IDs

• CAS Number: 6295-74-5
• PubChem SID: 162088735
• PubChem CID: 23687868

CALCULATED PROPERTIES

• Acid pKa: -1.7379177
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.19254895
• LogD (pH = 7.4): -0.19255482
• Log P: 2.1838439
• Molar Refractivity: 53.3592 cm^3
• Polarizability: 23.006264 Å^3
• Polar Surface Area: 66.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C

DETAILS

MP Biomedicals - 02100258

Potassium Salt
Crystalline
Substrate for sulfatases