67313-30-8
BENZYL 2-ACETAMIDO-4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
NameBENZYL 2-ACETAMIDO-4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
1Identification
【Name】
BENZYL 2-ACETAMIDO-4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD00210784
【English Synonyms】
【Formula】
C33 H43 N O17
【MolWeight】
725.693
【Inchi】
InChI=1S/C33H43NO17/c1-16(35)34-26-29(27(45-19(4)38)24(14-42-17(2)36)49-32(26)44-13-23-11-9-8-10-12-23)51-33-31(48-22(7)41)30(47-21(6)40)28(46-20(5)39)25(50-33)15-43-18(3)37/h8-12,24-33H,13-15H2,1-7H3,(H,34,35)/t24-,25-,26-,27+,28+,29-,30+,31-,32+,33+/m1/s1
【InChIKey】
InChIKey=JRXJPDIFFVHMRH-MUWZFAHCSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)COC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
【MOL File】
BENZYL 2-ACETAMIDO-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:18
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL 2-ACETAMIDO-4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE.cml