N-Acetyl-2-O-(3-methoxyphenyl)-alpha-neuraminic acid

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

Also Known As: 5-Ampna|2(3'-Methoxyphenyl)-N-acetylneuraminic acid|2-(3-methoxyphenyl)-N-acetyl-alpha-neuraminic acid|A-NEURAMINIC ACID,N-ACETYL-2-O-(3-METHOXYPHENYL)-|5-N-Acetyl-2-O-(3-methoxyphenyl)-alpha-D-neuraminic acid|2'-(3'-methoxyphenyl)-N-acetyl-alpha-neuraminic acid|N-Acetyl-2-O-(3-methoxyphenyl)-alpha-neuraminic acid|D-glycero-alpha-D-galacto-2-Nonulopyranosidonic acid, 3-methoxyphenyl 5-(acetylamino)-3,5-dideoxy-|(3-Methoxyphenyl 5-acetamido-3,5-dideoxy-|A-D-glycero-D-galacto-2-nonulopyranosid)onic acid|3-Methoxyphenyl 3,5-dideoxy-5-[(1-hydroxyethylidene)amino]non-2-ulopyranosidonic acid|(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(3-methoxyphenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid|3-Methoxyphenyl 3,5-dideoxy-5-[(1-hydroxyethylidene)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid|3-methoxyphenyl 5-(acetylamino)-3,5-dideoxy-d-glycero-|A-d-galacto-non-2-ulopyranosidonic acid

Molecular Formula	C18H25NO10
Molecular Weight	415.14786 g/mol
LogP	-1.1
Topological Polar Surface Area	175.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	415.14786
Monoisotopic Mass	415.14786
Heavy Atoms	29
Complexity	575.0

Chemical Identifiers

CAS Number	2892-66-2
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)OC2=CC=CC(=C2)OC)O
InChIKey	FFQZDUPSNPAFTE-DGYIVEFISA-N