1-hydroxy-3-(octadecanoyloxy)propan-2-yl octadeca-9,12-dienoate

• ChemBase ID: 105181
• Molecular Formular: C39H72O5
• Molecular Mass: 620.98598
• Monoisotopic Mass: 620.5379754
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)CO
• InChI: InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40H,3-11,13,15-17,19,21-36H2,1-2H3
• InChIKey: AJMZUFBKADIAKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydroxy-3-(octadecanoyloxy)propan-2-yl octadeca-9,12-dienoate
• IUPAC Traditional name: 1-hydroxy-3-(octadecanoyloxy)propan-2-yl octadeca-9,12-dienoate
• Synonyms: 1-STEAROYL-2-LINOLEOYL-sn-GLYCEROL

Database IDs

• PubChem SID: 162105886
• PubChem CID: 5353267

CALCULATED PROPERTIES

• Acid pKa: 14.577784
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 13.057525
• LogD (pH = 7.4): 13.057525
• Log P: 13.057525
• Molar Refractivity: 188.3361 cm^3
• Polarizability: 74.24763 Å^3
• Polar Surface Area: 72.83 Å^2
• Rotatable Bonds: 36
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: -20°C

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02158995

Purity: 98%
Protein kinase C activator.