N-Acetyl-4-O-acetylneuraminic acid

(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Also Known As: N-acetyl-4-O-acetylneuraminic acid|4-O-Acetyl-N-acetylneuraminic acid|GlyTouCan:G14558QS|N,4-O-Diacetylneuraminate|N-Acetyl-4-O-acetylneuraminate|G14558QS|4-O-Acetyl-N-acetyl-neuraminic acid|N,4-O-Diacetyl-beta-neuraminic acid|Bis[2-(trimethylsilyloxy)ethyl] Ether|Neuraminic acid, N-acetyl-, 4-acetate|J1.616.017B|Neuraminic acid,N-acetyl-, 4-acetate (7CI,9CI)|(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid|(2S,4S,5R,6R)-5-Acetamido-4-acetoxy-2-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid|4-O-Acetyl-3,5-dideoxy-5-[(1-hydroxyethylidene)amino]non-2-ulopyranosonic acid|4-o-acetyl-5-(acetylamino)-3,5-dideoxy-d-glycero-|A-d-galacto-non-2-ulopyranosonic acid|5-acetamido-4-O-acetyl-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid|(2S,4S,5R,6R)-4-(ACETYLOXY)-5-ACETAMIDO-2-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID|(2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid|(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Molecular Formula	C13H21NO10
Molecular Weight	351.11655 g/mol
LogP	-2.9
Topological Polar Surface Area	183.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	351.11655
Monoisotopic Mass	351.11655
Heavy Atoms	24
Complexity	497.0

Chemical Identifiers

CAS Number	308-42-9
SMILES	CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C
InChIKey	LVBIMVQYUKOENY-XAGGSGLKSA-N