2,3-dihydroxypropanoic acid

• ChemBase ID: 127588
• Molecular Formular: C3H6O4
• Molecular Mass: 106.07734
• Monoisotopic Mass: 106.02660867
• SMILES: C(C(C(=O)O)O)O
• Canonical SMILES: OCC(C(=O)O)O
• InChI: InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)
• InChIKey: RBNPOMFGQQGHHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydroxypropanoic acid
• IUPAC Traditional name: glyceric acid
• Synonyms: Glycerate; Glyceric acid; 2,3-Dihydroxypropanoic acid

Database IDs

• CAS Number: 600-19-1; 473-81-4
• MDL Number: MFCD00065927
• PubChem SID: 162221907
• PubChem CID: 752
• Wikipedia Title: Glyceric_acid

CALCULATED PROPERTIES

• Acid pKa: 3.418606
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.5885108
• LogD (pH = 7.4): -4.916877
• Log P: -1.5187395
• Molar Refractivity: 20.3835 cm^3
• Polarizability: 8.279054 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%