docosyl hexadecanoate

• ChemBase ID: 104470
• Molecular Formular: C38H76O2
• Molecular Mass: 565.00884
• Monoisotopic Mass: 564.58453167
• SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
• InChI: InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
• InChIKey: FVFPPJUUWBXKFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docosyl hexadecanoate
• IUPAC Traditional name: docosyl-palmitate
• Synonyms: Behenyl palmitate; PALMITIC ACID BEHENYL ESTER

Database IDs

• CAS Number: 42232-33-7
• PubChem SID: 162092724
• PubChem CID: 3330118

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 15.728612
• LogD (pH = 7.4): 15.728612
• Log P: 15.728612
• Molar Refractivity: 178.5443 cm^3
• Polarizability: 71.58571 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 36
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02156036

Crystalline
Purity: 99%