2'-Deoxycardiolipin (Diphosphatidyl-1,3-Propanediol)
[CAS# 99018-93-6]

Identification

• Name: 2'-Deoxycardiolipin (Diphosphatidyl-1,3-Propanediol)
• Synonyms: [1-[[3-[2,3-Di(Hexadecanoyloxy)Propoxy-Hydroxy-Phosphoryl]Oxypropoxy-Hydroxy-Phosphoryl]Oxymethyl]-2-Hexadecanoyloxy-Ethyl] Hexadecanoate; Hexadecanoic Acid [1-[[3-[2,3-Bis(1-Oxohexadecoxy)Propoxy-Hydroxyphosphoryl]Oxypropoxy-Hydroxyphosphoryl]Oxymethyl]-2
• Molecular Formula: C₇₃H₁₄₂O₁₆P₂
• Molecular Weight: 1337.86
• CAS Registry Number: 99018-93-6
• SMILES: C(CCCCCCCCCCCCCC(OCC(CO[P](=O)(OCCCO[P](=O)(OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)O)O)OC(CCCCCCCCCCCCCCC)=O)=O)C
• InChI: 1S/C73H142O16P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-58-70(74)82-64-68(88-72(76)60-55-51-47-43-39-35-31-27-23-19-15-11-7-3)66-86-90(78,79)84-62-57-63-85-91(80,81)87-67-69(89-73(77)61-56-52-48-44-40-36-32-28-24-20-16-12-8-4)65-83-71(75)59-54-50-46-42-38
• InChIKey: HOLBFJMJZZPRRX-UHFFFAOYSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 1074.482°C at 760 mmHg (Cal.)
• Flash point: 603.625°C (Cal.)