50930-22-8
2-O-METHYL-ALPHA-D-N-ACETYLNEURAMINIC ACID
Name2-O-METHYL-ALPHA-D-N-ACETYLNEURAMINIC ACID
1Identification
【Name】
2-O-METHYL-ALPHA-D-N-ACETYLNEURAMINIC ACID
【CAS】
【MDL】
MFCD00084809
【English Synonyms】
【Formula】
C12 H21 N O9
【MolWeight】
323.296
【Inchi】
InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12-/m0/s1
【InChIKey】
InChIKey=NJRVVFURCKKXOD-AGNBLMTLSA-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)O)OC)O
【MOL File】
2-O-METHYL-ALPHA-D-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:10
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-O-METHYL-ALPHA-D-N-ACETYLNEURAMINIC ACID.cml