ethyl (2R)-2-hydroxytetracosanoate

• ChemBase ID: 304013
• Molecular Formular: C26H52O3
• Molecular Mass: 412.68928
• Monoisotopic Mass: 412.39164552
• SMILES: C([C@H](C(=O)OCC)O)CCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)OCC)O
• InChI: InChI=1S/C26H52O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29-4-2/h25,27H,3-24H2,1-2H3/t25-/m1/s1
• InChIKey: XNIPTMIZKFSVOJ-RUZDIDTESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2R)-2-hydroxytetracosanoate
• IUPAC Traditional name: ethyl (2R)-2-hydroxytetracosanoate
• Synonyms: Cerebronic acid ethyl ester; 2-Hydroxytetracosanoic acid ethyl ester

Database IDs

• CAS Number: 124111-47-3

CALCULATED PROPERTIES

• Acid pKa: 12.707149
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 9.444768
• LogD (pH = 7.4): 9.444766
• Log P: 9.444768
• Molar Refractivity: 124.9015 cm^3
• Polarizability: 50.019226 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Product Information

• Purity: 98.0