sodium 2-hydroxypropane-2-sulfonate

• ChemBase ID: 107897
• Molecular Formular: C3H7NaO4S
• Molecular Mass: 162.14005
• Monoisotopic Mass: 161.99627399
• SMILES: [Na+].CC(C)(O)S(=O)(=O)[O-]
• Canonical SMILES: CC(S(=O)(=O)[O-])(O)C.[Na+]
• InChI: InChI=1S/C3H8O4S.Na/c1-3(2,4)8(5,6)7;/h4H,1-2H3,(H,5,6,7);/q;+1/p-1
• InChIKey: YNJORDSKPXMABC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-hydroxypropane-2-sulfonate
• IUPAC Traditional name: sodium 2-hydroxypropane-2-sulfonate; potassium 2-hydroxypropane-2-sulfonate
• Synonyms: 2-Hydroxy-2-propanesulfonic acid monosodium salt; Acetone sodium bisulfite; 2-Hydroxy-2-porpanesulfonic acid sodium salt; ACETONE SODIUM BISULFITE; 2-羟基-2-丙烷磺酸 单钠盐

Database IDs

• CAS Number: 540-92-1
• EC Number: 208-761-2
• MDL Number: MFCD00031395
• PubChem SID: 162089115
• PubChem CID: 23673833

CALCULATED PROPERTIES

• Acid pKa: -1.3704408
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9825964
• LogD (pH = 7.4): -2.9826117
• Log P: -0.60621136
• Molar Refractivity: 26.7471 cm^3
• Polarizability: 11.603326 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• RTECS: TZ6550000
• TSCA Listed: 是

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05205390

MP Biomedicals Rare Chemical collection