3-Deoxy-2-octulosonic acid(2)-lipid IV(A)

3-deoxy-2-octulosonic acid(2)-lipid IV(A) · α-D-Glucopyranose, O-3-deoxy-α-D-manno-2-octulopyranosonosyl-(2→4)-O-3-deoxy-α-D-manno-2-octulopyranosonosyl-(2→6)-O-2-deoxy-3-O-[(3R)-3-hydroxy-1-oxotetradecyl]-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(di... · (2R,4R,5R,6R)-4-[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4 ,5-dihydroxy-oxan-2-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-5-hydroxy-2-[[( 2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxytetra decanoyl]amino]-4-[(3R)-3-hydroxytetradecanoyl]oxy-6-phosphonooxy-oxan -2-yl]methoxy]-5-[[(3R)-3-hydroxytetradecanoyl]amino]-4-[(3R)-3-hydrox ytetradecanoyl]oxy-3-phosphonooxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid

https://huagongshe.com/de/chemical/3083382

Molekülstruktur von 3-Deoxy-2-octulosonic acid(2)-lipid IV(A)

Identifikatoren & physikalische Daten

CAS No.	143600-83-3
Summenformel	C84H154N2O37P2
Durchschnittliche Molmasse	1.846,1 g/mol
Monoisotopische Masse	1.844,9705678 g/mol
SMILES	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC
InChIKey	XAOLJGCZESYRFT-VHSKNIDJSA-N
PubChem CID	3083382
ChEBI	CHEBI:28526
DTXSID	DTXSID20162477

Chemische & physikalische Eigenschaften

XLogP	10,7
Polarare Oberfläche (TPSA)	626
H-Brücken-Donoren	20
H-Brücken-Akzeptoren	37
Frei drehbare Bindungen	72
Schwere Atome	125
Formalladung	0
Komplexität	3.090