AC1NRLG2

2-[2-carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid

Also Known As: Kdo2-Lipid A (sodium salt)|2-[2-carboxy-6-(1,2-dihydroxyethyl)-2-[[5-(3-dodecanoyloxytetradecanoylamino)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonooxyoxan-2-yl]methoxy]-3-phosphonooxy-4-(3-tetradecanoyloxytetradecanoyloxy)oxan-2-yl]methoxy]-5-hydroxyoxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid|3-Deoxyoct-2-ulopyranonosyl-(2->4)-3-deoxyoct-2-ulopyranonosyl-(2->6)-2-deoxy-2-[3-(dodecanoyloxy)tetradecanamido]-4-O-phosphono-3-O-[3-(tetradecanoyloxy)tetradecanoyl]hexopyranosyl-(1->6)-2-deoxy-2-(3-hydroxytetradecanamido)-3-O-(3-hydroxytetradecanoyl)-1-O-phosphonohexopyranose

Molecular Formula	C110H202N2O39P2
Molecular Weight	2237.336 g/mol
LogP	15.936
Topological Polar Surface Area	638.43 Ų
Hydrogen Bond Donors	18
Hydrogen Bond Acceptors	33
Rotatable Bonds	94
Exact Mass	2237.336
Monoisotopic Mass	2238.3394
Heavy Atoms	153
Complexity	3763.0107

Chemical Identifiers

CAS Number	6917-66-4
SMILES	CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)O)OC3(CC(C(C(O3)C(CO)O)O)O)C(=O)O)C(=O)O)OCC4C(C(C(C(O4)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC