25875-99-4
N-ACETYL-2,3-DEHYDRO-2-DEOXYNEURAMINIC ACID, METHYL ESTER
NameN-ACETYL-2,3-DEHYDRO-2-DEOXYNEURAMINIC ACID, METHYL ESTER
1Identification
【Name】
N-ACETYL-2,3-DEHYDRO-2-DEOXYNEURAMINIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD02683238
【English Synonyms】
【Formula】
C12 H19 N O8
【MolWeight】
305.281
【Inchi】
InChI=1S/C12H19NO8/c1-5(15)13-9-6(16)3-8(12(19)20-2)21-11(9)10(18)7(17)4-14/h3,6-7,9-11,14,16-18H,4H2,1-2H3,(H,13,15)/t6-,7+,9+,10+,11+/m0/s1
【InChIKey】
InChIKey=SPILYXOSOLBQAQ-CNYIRLTGSA-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)O
【MOL File】
N-ACETYL-2,3-DEHYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:9
XLogP3:-4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-ACETYL-2,3-DEHYDRO-2-DEOXYNEURAMINIC ACID, METHYL ESTER.cml