2,3-di-O-phytanyl-sn-glycero-1-phospho-(3'-sn-glycerol-1'-sulfate)
[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S)-2-hydroxy-3-sulfooxypropyl] hydrogen phosphate
Molecular Identity
2,3-di-O-phytanyl-sn-glycero-1-phospho-(3'-sn-glycerol-1'-sulfate)
[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S)-2-hydroxy-3-sulfooxypropyl] hydrogen phosphate
PubChem CID: 53477526
2D Structure
Properties
C46H95O11PS
Molecular Formula
887.30
Molecular Weight
g/mol
886.6333
Exact Mass
Da
15
XLogP
Above Lipinski threshold
166
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
1120
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(COS(=O)(=O)O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)CIsomeric SMILES
SMILES: C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)OC[C@@H](COS(=O)(=O)O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CSynonyms(3)
2,3-di-O-phytanyl-sn-glycero-1-phospho-(3'-sn-glycerol-1'-sulfate)PGSLMGP00000062
Data from PubChem (NCBI)
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Molecular Structure
2,3-di-O-phytanyl-sn-glycero-1-phospho-(3'-sn-glycerol-1'-sulfate)
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Drug Network
Trials and conditions connected to 2,3-di-O-phytanyl-sn-glycero-1-phospho-(3'-sn-glycerol-1'-sulfate)
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