lipid A

[2-[[3-(3-dodecanoyloxytetradecanoylamino)-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxymethyl]-3-hydroxy-5-(3-hydroxytetradecanoylamino)-6-phosphonooxyoxan-4-yl] 3-hydroxytetradecanoate

Also Known As: lipid A|Lipid A, diphosphoryl from Escherichia coli F583 (Rd mutant)|[2-[[3-(3-dodecanoyloxytetradecanoylamino)-6-(hydroxymethyl)-5-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]oxymethyl]-3-hydroxy-5-(3-hydroxytetradecanoylamino)-6-phosphonooxyoxan-4-yl] 3-hydroxytetradecanoate|Lipid A, diphosphoryl from Salmonella enterica serotype minnesota Re 595 (Re mutant)|{5-[3-(DODECANOYLOXY)TETRADECANAMIDO]-6-{[3-HYDROXY-5-(3-HYDROXYTETRADECANAMIDO)-4-[(3-HYDROXYTETRADECANOYL)OXY]-6-(PHOSPHONOOXY)OXAN-2-YL]METHOXY}-2-(HYDROXYMETHYL)-4-{[3-(TETRADECANOYLOXY)TETRADECANOYL]OXY}OXAN-3-YL}OXYPHOSPHONIC ACID|2-Deoxy-6-O-{2-deoxy-2-[3-(dodecanoyloxy)tetradecanamido]-4-O-phosphono-3-O-[3-(tetradecanoyloxy)tetradecanoyl]hexopyranosyl}-2-(3-hydroxytetradecanamido)-3-O-(3-hydroxytetradecanoyl)-1-O-phosphonohexopyranose|a-D-Glucopyranose,2-deoxy-6-O-[2-deoxy-2-[[(3R)-1-oxo-3-[(1-oxododecyl)oxy]tetradecyl]amino]-3-O-[(3R)-1-oxo-3-[(1-oxotetradecyl)oxy]tetradecyl]-4-O-phosphono-b-D-glucopyranosyl]-2-[[(3R)-3-hydroxy-1-

Molecular Formula	C94H178N2O25P2
Molecular Weight	1797.2194 g/mol
LogP	20.5978
Topological Polar Surface Area	405.53 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	21
Rotatable Bonds	84
Exact Mass	1797.2194
Monoisotopic Mass	1798.2228
Heavy Atoms	123
Complexity	2713.234

Chemical Identifiers

CAS Number	95991-05-2
SMILES	CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)CO)OCC2C(C(C(C(O2)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC