55287-49-5
BENZYL-2-ACETAMIDO-2-DEOXY-3,6-DI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE
NameBENZYL-2-ACETAMIDO-2-DEOXY-3,6-DI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE
1Identification
【Name】
BENZYL-2-ACETAMIDO-2-DEOXY-3,6-DI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD00210785
【English Synonyms】
【Formula】
C29 H33 N O6
【MolWeight】
491.581
【Inchi】
InChI=1S/C29H33NO6/c1-21(31)30-26-28(34-18-23-13-7-3-8-14-23)27(32)25(20-33-17-22-11-5-2-6-12-22)36-29(26)35-19-24-15-9-4-10-16-24/h2-16,25-29,32H,17-20H2,1H3,(H,30,31)/t25-,26-,27-,28-,29+/m1/s1
【InChIKey】
InChIKey=JUMIDJUZUBPQHV-JPHCZMGXSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O)OCc4ccccc4
【MOL File】
BENZYL-2-ACETAMIDO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL-2-ACETAMIDO-2-DEOXY-3,6-DI-O-BENZYL-ALPHA-D-GLUCOPYRANOSIDE.cml