4-hydroxypentanoic acid

• ChemBase ID: 270240
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: C(=O)(CCC(O)C)O
• Canonical SMILES: CC(CCC(=O)O)O
• InChI: InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
• InChIKey: FMHKPLXYWVCLME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxypentanoic acid
• IUPAC Traditional name: gamma-hydroxyvaleric acid
• Synonyms: 4-hydroxypentanoic acid

Database IDs

• MDL Number: MFCD16068576
• PubChem SID: 164326150
• PubChem CID: 114539

CALCULATED PROPERTIES

• Acid pKa: 4.5929832
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0550447
• LogD (pH = 7.4): -2.8306832
• Log P: -0.098344795
• Molar Refractivity: 28.2191 cm^3
• Polarizability: 11.1556 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.272

Product Information

• Purity: 95%