(2S)-2-ethoxypropane-1,2-diol

• ChemBase ID: 810542
• Molecular Formular: C5H12O3
• Molecular Mass: 120.14698
• Monoisotopic Mass: 120.07864424
• SMILES: C([C@@](C)(O)OCC)O
• Canonical SMILES: CCO[C@@](CO)(O)C
• InChI: InChI=1S/C5H12O3/c1-3-8-5(2,7)4-6/h6-7H,3-4H2,1-2H3/t5-/m0/s1
• InChIKey: GPGIVJJPROZHSY-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-ethoxypropane-1,2-diol
• IUPAC Traditional name: (2S)-2-ethoxypropane-1,2-diol
• Synonyms: (S)-(+)-2-(METHYLMETHOXY)-1,2-PROPANEDIOL

Database IDs

• CAS Number: 91191-95-6

CALCULATED PROPERTIES

• Acid pKa: 11.566355
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3249062
• LogD (pH = 7.4): -0.3249354
• Log P: -0.32490584
• Molar Refractivity: 30.1051 cm^3
• Polarizability: 11.926351 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%