2-(acetyloxy)-3-hydroxypropyl octadec-9-enoate

• ChemBase ID: 105604
• Molecular Formular: C23H42O5
• Molecular Mass: 398.57658
• Monoisotopic Mass: 398.30322444
• SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OC(=O)C
• Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)C)CO
• InChI: InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)27-20-22(19-24)28-21(2)25/h10-11,22,24H,3-9,12-20H2,1-2H3
• InChIKey: PWTCCMJTPHCGMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(acetyloxy)-3-hydroxypropyl octadec-9-enoate
• IUPAC Traditional name: 2-(acetyloxy)-3-hydroxypropyl octadec-9-enoate
• Synonyms: (±)-1-OLEOYL-2-ACETYLGLYCEROL

Database IDs

• CAS Number: 92282-11-6
• PubChem SID: 162092815
• PubChem CID: 5353264

CALCULATED PROPERTIES

• Acid pKa: 14.577799
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 6.050381
• LogD (pH = 7.4): 6.0503807
• Log P: 6.050381
• Molar Refractivity: 113.5776 cm^3
• Polarizability: 44.997517 Å^3
• Polar Surface Area: 72.83 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: -20°C

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02191510

Purity: 98%
Potent, membrane-permeable activator of protein kinase C.