Catalog Number:
AG000CI9
Chemical Name:
α-Neuraminic acid, N-acetyl-2-S-methyl-2-thio-, methyl ester, 4,7,8,9-tetraacetate
CAS Number:
116450-06-7
Molecular Formula:
C21H31NO12S
Molecular Weight:
521.5353
MDL Number:
MFCD00792864
IUPAC Name:
methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-methylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
InChI:
InChI=1S/C21H31NO12S/c1-10(23)22-17-15(31-12(3)25)8-21(35-7,20(28)29-6)34-19(17)18(33-14(5)27)16(32-13(4)26)9-30-11(2)24/h15-19H,8-9H2,1-7H3,(H,22,23)/t15-,16+,17+,18+,19+,21-/m0/s1
InChI Key:
VUDPJAWMOISBAC-JSNLTNBWSA-N
SMILES:
COC(=O)[C@@]1(SC)C[C@H](OC(=O)C)[C@H]([C@@H](O1)[C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)NC(=O)C
