Dimyristoyl phosphatidic acid
Basic information
- CAS
30170-00-4- Standard SMILES
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC- InChIKey
OZSITQMWYBNPMW-UHFFFAOYSA-N- Molecular formula
- C31H61O8P
- Average molar mass
- 592.8 g/mol
- Monoisotopic mass
- 592.4104059
Overview
Dimyristoyl phosphatidic acid is a phosphatidic acid in which the phosphatidyl acyl groups are both myristoyl. It is a conjugate acid of a 1,2-dimyrsitoylphosphatidate(2-).
Names & identifiers
- Preferred name
- Dimyristoyl phosphatidic acid
- IUPAC
- (3-phosphonooxy-2-tetradecanoyloxypropyl) tetradecanoate
- English name
- 1-[(phosphonooxy)methyl]ethylene dimyristate
- Molecular formula
- C31H61O8P
- Molecular weight
- 592.78
Names & synonyms
Dimyristoylphosphatidic acid30170-00-4Dimyristoyl phosphatidic acidCHEBI:62085Tetradecanoic acid, 1-((phosphonooxy)methyl)-1,2-ethanediyl esterDMSPTARefChem:920351250-079-23-(phosphonooxy)propane-1,2-diyl ditetradecanoate1-((Phosphonooxy)methyl)ethylene dimyristateDTXSID30952568OZSITQMWYBNPMW-UHFFFAOYSA-N
Show more names
1-[(phosphonooxy)methyl]ethylene dimyristateBismyristic acid 1-(phosphonooxymethyl)ethylene esterPhosphoric acid [2,3-bis(tetradecanoyloxy)propyl] esterBistetradecanoic acid 1-(phosphonooxymethyl)ethylene esterTetradecanoic acid, 1,1'-[1-[(phosphonooxy)methyl]-1,2-ethanediyl] ester
SCHEMBL115165(3-phosphonooxy-2-tetradecanoyloxypropyl) tetradecanoateEINECS 250-079-2NS00050236PA 14:0_14:0Q27131589
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 32
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Boiling point
- 668.6 · 668.6±65.0 °C(Predicted)
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- pka
- 1.83 · 1.83±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Tetradecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediylester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Additional notes
DefinitionChEBI: A phosphatidic acid in which the phosphatidyl acyl groups are both myristoyl.
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