N-Acetylneuraminic acid methyl ester

CAS	22900-11-4
Structure
Synonyms	Methyl (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
IUPAC Name	Methyl (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Molecular Weight	323.3
Molecular Formula	C12H21NO9
Canonical SMILES	CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)O
InChI	InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)/t6-,7+,8+,9+,10+,12-/m0/s1
InChI Key	BKZQMWNJESHHSA-AGNBLMTLSA-N
Boiling Point	693.8±55.0 °C
Melting Point	193.5-194.5 °C
Flash Point	373.4ºC
Purity	98%
Density	1.51±0.1 g/ml
Refractive Index	-27.5 ° (C=1, H₂O)
pKa	10.40±0.70
Appearance	Solid