5-N-Acetyl-9-O-phospho-neuraminic acid

(4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

Also Known As: Neu5Ac9P|N-acetylneuraminic acid 9-phosphate|N-Acetylneuraminate 9-phosphate|N-acetyl-Neuraminic acid-9-phosphate|5-N-Acetyl-9-O-phospho-neuraminic acid|N-Acetylneuraminic acid 9-phosphoric acid|J2.761.995I|Imidazo[1,2-b]pyridazin-6-amine,3-nitro-N-octyl|N-Acetyl-9-(dihydrogen phosphate)-neuraminic acid|N-acetyl- 9-(dihydrogen phosphate)-Neuraminic acid|(2R,4R,5R,6S)-5-acetamido-6-(1,2-dihydroxy-3-phosphonooxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid|(4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid|5-acetamido-3,5-dideoxy-9-phosphono-D-galacto-non-2-ulopyranosonic acid|5-acetamido-3,5-dideoxy-9-phosphono-D-glycero-D-galacto-2-nonulosonic acid|5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-2-Nonulosonic acid 9-(dihydrogen phosphate)|(4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid|(4S,5R,6R)-5-acetamido-6-((1R,2R)-1,2-dihydroxy-3-phosphonooxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid|(4S,5R,6R)-6-((1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl)-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid|(4S,5R,6R)-6-[(1R,2R)-1,2-Dihydroxy-3-(phosphonooxy)propyl]-5-(acetylamino)-2,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid

Molecular Formula	C11H20NO12P
Molecular Weight	389.07233 g/mol
LogP	-4.6
Topological Polar Surface Area	223.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	7
Exact Mass	389.07233
Monoisotopic Mass	389.07233
Heavy Atoms	25
Complexity	551.0

Chemical Identifiers

CAS Number	37992-17-9
SMILES	CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](COP(=O)(O)O)O)O)(C(=O)O)O)O
InChIKey	SQMNIXJSBCSNCI-LUWBGTNYSA-N