Catalog Number:
AG006LFI
Chemical Name:
N-Acetyl-2-chloro-2-deoxyneuraminic Acid Methyl Ester 4,7,8,9-Tetraacetate
CAS Number:
67670-69-3
Molecular Formula:
C20H28ClNO12
Molecular Weight:
509.8888
MDL Number:
MFCD09702400
IUPAC Name:
methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-chloro-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
InChI:
InChI=1S/C20H28ClNO12/c1-9(23)22-16-14(31-11(3)25)7-20(21,19(28)29-6)34-18(16)17(33-13(5)27)15(32-12(4)26)8-30-10(2)24/h14-18H,7-8H2,1-6H3,(H,22,23)/t14-,15+,16+,17+,18+,20-/m0/s1
InChI Key:
QGJGGAMXXWIKJR-DCDDNHAVSA-N
SMILES:
COC(=O)[C@]1(Cl)C[C@@H](OC(=O)C)[C@H](C(O1)[C@@H]([C@H](OC(=O)C)COC(=O)C)OC(=O)C)NC(=O)C
