(3R)-3,5-dihydroxy-3-methylpentanoic acid

• ChemBase ID: 128398
• Molecular Formular: C6H12O4
• Molecular Mass: 148.15708
• Monoisotopic Mass: 148.07355886
• SMILES: CC(O)(CCO)CC(=O)O
• Canonical SMILES: OCCC(CC(=O)O)(O)C
• InChI: InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1
• InChIKey: KJTLQQUUPVSXIM-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3,5-dihydroxy-3-methylpentanoic acid
• IUPAC Traditional name: mevalonic acid
• Synonyms: Mevalonic acid

Database IDs

• CAS Number: 150-97-0
• PubChem SID: 162222705
• PubChem CID: 439230
• Wikipedia Title: Mevalonic_acid

CALCULATED PROPERTIES

• Acid pKa: 4.384681
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.2391148
• LogD (pH = 7.4): -3.993144
• Log P: -1.0933796
• Molar Refractivity: 34.5114 cm^3
• Polarizability: 13.665351 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true