(2-{[(2R)-2-(acetyloxy)-3-(octadecyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

• ChemBase ID: 105246
• Molecular Formular: C28H58NO7P
• Molecular Mass: 551.736381
• Monoisotopic Mass: 551.39508983
• SMILES: CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C
• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC[C@@H](OC(=O)C)COP(=O)(OCC[N+](C)(C)C)[O-]
• InChI: InChI=1S/C28H58NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3,4)5/h28H,6-26H2,1-5H3/t28-/m1/s1
• InChIKey: ZXCIEWBDUAPBJF-MUUNZHRXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{[(2R)-2-(acetyloxy)-3-(octadecyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
• IUPAC Traditional name: paf acether
• Synonyms: Platelet Activating Factor C-18; 1-O-Octadecyl-2-O-acetyl-sn-glycero-3-phosphocholine; L-α-PHOSPHATIDYLCHOLINE-β-ACETYL-γ-O-OCTADECYL

Database IDs

• CAS Number: 79549-26-1
• PubChem SID: 162092298
• PubChem CID: 2733535

CALCULATED PROPERTIES

• Acid pKa: 1.8550608
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.9273047
• LogD (pH = 7.4): 4.9274006
• Log P: 2.9038007
• Molar Refractivity: 160.8726 cm^3
• Polarizability: 60.235207 Å^3
• Polar Surface Area: 94.12 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: -20°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02159196

Purity: 99%
Platelet activating factor