1-Oleyl-sn-glycero-3-phosphate
Basic information
- CAS
666827-84-5- Standard SMILES
CCCCCCCC/C=C\CCCCCCCCOC[C@@H](O)COP(=O)(O)O- InChIKey
SEMUMSNWRXJZTJ-VFCOFNOGSA-N- Molecular formula
- C21H43O6P
- Average molar mass
- 422.5 g/mol
Overview
1-oleyl-sn-glycero-3-phosphate is a 1-alkyl-sn-glycerol 3-phosphate in which the alkyl group is specified as oleyl. It is functionally related to a (9Z)-octadecen-1-ol. It is a conjugate acid of a 1-oleyl-sn-glycero-3-phosphate(2-).
Names & identifiers
- Preferred name
- 1-Oleyl-sn-glycero-3-phosphate
- IUPAC
- [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] dihydrogen phosphate
- English name
- 3-(cis-9-Octadecen-1-yl)-sn-glycero-1-phosphate (monosodium salt)
- Molecular formula
- C21H43O6P
- Molecular weight
- 422.54
Names & synonyms
1-oleyl-sn-glycero-3-phosphateCHEBI:79308RefChem:935183[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoxy]propyl] dihydrogen phosphateSCHEMBL2934622666827-84-51-(9Z)-octadecenyl-sn-glycero-3-phosphateQ27148369(2R)-2-hydroxy-3-[(9Z)-octadec-9-en-1-yloxy]propyl dihydrogen phosphate(2S)-oleyl LPA3-(cis-9-Octadecen-1-yl)-sn-glycero-1-phosphate (monosodium salt)1,2-Propanediol, 3-[(9Z)-9-octadecen-1-yloxy]-, 1-(dihydrogen phosphate), (2S)-
Database identifiers
- CAS
666827-84-5- ChEBI
CHEBI:79308- Nikkaji
- J1.787.735F
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 21
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 560.4 · 560.4±60.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 1.84 · 1.84±0.10(Predicted)
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Compound notes
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