6730-43-4
2-O-METHYL-B-D-N-ACETYLNEURAMINIC ACID, METHYL ESTER
Name2-O-METHYL-B-D-N-ACETYLNEURAMINIC ACID, METHYL ESTER
1Identification
【Name】
2-O-METHYL-B-D-N-ACETYLNEURAMINIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD00792871
【English Synonyms】
【Formula】
C13 H23 N O9
【MolWeight】
337.323
【Inchi】
InChI=1S/C13H23NO9/c1-6(16)14-9-7(17)4-13(22-3,12(20)21-2)23-11(9)10(19)8(18)5-15/h7-11,15,17-19H,4-5H2,1-3H3,(H,14,16)/t7-,8+,9+,10+,11+,13-/m0/s1
【InChIKey】
InChIKey=JKTJXQQVMKZKQA-GRRZBWEESA-N
【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)OC)O
【MOL File】
2-O-METHYL-B-D-N-ACE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:10
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-O-METHYL-B-D-N-ACETYLNEURAMINIC ACID, METHYL ESTER.cml