sodium 2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonate

• ChemBase ID: 103612
• Molecular Formular: C7H14NNaO5S
• Molecular Mass: 247.24453
• Monoisotopic Mass: 247.04903783
• SMILES: [Na+].OC(CN1CCOCC1)CS(=O)(=O)[O-]
• Canonical SMILES: OC(CS(=O)(=O)[O-])CN1CCOCC1.[Na+]
• InChI: InChI=1S/C7H15NO5S.Na/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8;/h7,9H,1-6H2,(H,10,11,12);/q;+1/p-1
• InChIKey: WSFQLUVWDKCYSW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonate
• IUPAC Traditional name: sodium 2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonate; potassium 2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonate
• Synonyms: MOPSO sodium salt; 3-(N-Morpholinyl)-2-hydroxypropanesulfonic acid sodium salt; 3-Morpholino-2-hydroxypropanesulfonic acid sodium salt; MOPSO; Sodium 2-hydroxy-3-morpholinopropane-1-sulfonate; 3-(N-吗啉基)-2-羟基丙磺酸 钠盐; 3-吗啉-2-羟基丙磺酸 钠盐; MOPSO 钠盐

Database IDs

• CAS Number: 79803-73-9
• MDL Number: MFCD00070007
• Beilstein Number: 9448952
• PubChem SID: 162102850; 24897055; 24897289
• PubChem CID: 23675131

CALCULATED PROPERTIES

• Acid pKa: -1.0794966
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.1533294
• LogD (pH = 7.4): -3.771829
• Log P: -3.116327
• Molar Refractivity: 48.5897 cm^3
• Polarizability: 20.425943 Å^3
• Polar Surface Area: 89.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 M, clear, colorless
• pKa: 6.9 (25°C)
• pH: 10.0-12.0 (1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99% (titration); 95+%
• Impurities: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005; Mg: ≤0.0005%; NH4+: ≤0.05%; Pb: ≤0.001%; Zn: ≤0.0005%
• Antion Traces: chloride (Cl-): ≤0.05%
• Useful pH Range: 6.2 - 7.6
• Product Line: BioXtra
• abs.: A1M/280, H2O ≤0.05
• Empirical Formula (Hill Notation): C7H14NNaO5S

DETAILS

MP Biomedicals - 02152455

Sodium Salt