ethyl (2S)-2-hydroxypropanoate

• ChemBase ID: 119943
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: C(=O)([C@@H](O)C)OCC
• Canonical SMILES: CCOC(=O)[C@@H](O)C
• InChI: InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3
• InChIKey: LZCLXQDLBQLTDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2S)-2-hydroxypropanoate
• IUPAC Traditional name: ethyl lactate
• Synonyms: (S)-ethyl 2-hydroxypropanoate

Database IDs

• PubChem SID: 162108037
• PubChem CID: 92831

CALCULATED PROPERTIES

• Acid pKa: 12.999511
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.03087248
• LogD (pH = 7.4): 0.030871402
• Log P: 0.030872492
• Molar Refractivity: 28.3575 cm^3
• Polarizability: 11.390625 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true