53167-38-7
BENZYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
NameBENZYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
BENZYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD07367672
【English Synonyms】
【Formula】
C21 H31 N O11
【MolWeight】
473.472
【Inchi】
InChI=1S/C21H31NO11/c1-10(25)22-14-16(27)19(33-21-18(29)17(28)15(26)12(7-23)31-21)13(8-24)32-20(14)30-9-11-5-3-2-4-6-11/h2-6,12-21,23-24,26-29H,7-9H2,1H3,(H,22,25)/t12-,13-,14-,15+,16-,17+,18-,19-,20-,21+/m1/s1
【InChIKey】
InChIKey=SYUTXOZIXYNPMH-VSPFHFLJSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
【MOL File】
BENZYL 2-ACETAMIDO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:12
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE.cml