Phosphatidyl ethanol
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy(2-hydroxyethoxy)phosphoryl]oxypropyl] (Z)-octadec-9-enoate
Molecular Identity
Phosphatidyl ethanol
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy(2-hydroxyethoxy)phosphoryl]oxypropyl] (Z)-octadec-9-enoate
PubChem CID: 52946593
2D Structure
Properties
C39H73O9P
Molecular Formula
717.00
Molecular Weight
g/mol
716.4992
Exact Mass
Da
12
XLogP
Above Lipinski threshold
129
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
861
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCO)OC(=O)CCCCCCCC=CCCCCCCIsomeric SMILES
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCO)OC(=O)CCCCCCC/C=C\CCCCCCSynonyms(8)
PHOSPHATIDYL ETHANOL((2S)-2-((9Z)-hexadec-9-enoyloxy)-3-((9Z)-octadec-9-enoyloxy)propoxy)(2-hydroxyethoxy)phosphinic acid[(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy](2-hydroxyethoxy)phosphinic acidRefChem:861921PEthP0EDB04752(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-octadec-9-enoate
Data from PubChem (NCBI)
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