[2-({2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]-3-(tetracosyloxy)propyl phosphonato}oxy)ethyl]trimethylazanium

AlkaPlorer ID: AK318816

Synonym: None

IUPAC Name: [(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-tetracosoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Structure

SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

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InChI: InChI=1S/C52H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,31,33,37,39,51H,6-14,16,18-20,22,24-30,32,34-36,38,40-50H2,1-5H3/b17-15-,23-21-,33-31-,39-37-/t51-/m1/s1

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InChIKey: AQJDGYZOTXPNFY-ZFRXABNDSA-N

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Reference

PubChem CID: 53481775

NPASS: NPC175048

Properties Information

Molecule Weight: 880.3299999999996

TPSA: 94.12

MolLogP: 14.87039999999997

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information