1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl]oxy-heptylphosphinic acid
Molecular Identity
1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octoxypropan-2-yl]oxy-heptylphosphinic acid
PubChem CID: 129148
2D Structure
Properties
C20H45NO8P2
Molecular Formula
489.50
Molecular Weight
g/mol
489.2620
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
138
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
510
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCOCC(COP(=O)(O)OCCN)OP(=O)(CCCCCCC)OIsomeric SMILES
SMILES: CCCCCCCCOC[C@H](COP(=O)(O)OCCN)OP(=O)(CCCCCCC)OSynonyms(16)
Dic(8)(2Ph)PE120411-63-41-O-Octyl-2-heptylphosphonylglycero-3-phosphoethanolamineDTXSID00152856L-1-O-Octyl-2-heptylphosphonyl-sn-glycero-3-phosphoethanolamineRefChem:435106DTXCID7075347CHEMBL11599731-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINEGELBDBM50366475DB03565PD059605NS00071278(11R)-17-Amino-14-hydroxy-14-oxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl hydrogen heptylphosphonate
Data from PubChem (NCBI)
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Molecular Structure
1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine
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Drug Network
Trials and conditions connected to 1-O-octyl-2-heptylphosphonylglycero-3-phosphoethanolamine
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