141019-70-7
BENZYL 2-ACETAMIDO-3,6-DI-O-BENZOYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
NameBENZYL 2-ACETAMIDO-3,6-DI-O-BENZOYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
1Identification
【Name】
BENZYL 2-ACETAMIDO-3,6-DI-O-BENZOYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD07367674
【English Synonyms】
【Formula】
C29 H29 N O8
【MolWeight】
519.547
【Inchi】
InChI=1S/C29H29NO8/c1-19(31)30-24-26(38-28(34)22-15-9-4-10-16-22)25(32)23(18-35-27(33)21-13-7-3-8-14-21)37-29(24)36-17-20-11-5-2-6-12-20/h2-16,23-26,29,32H,17-18H2,1H3,(H,30,31)/t23-,24-,25+,26-,29+/m1/s1
【InChIKey】
InChIKey=MYVKGGKJMHXHHZ-KPTFLJRUSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)COC(=O)c3ccccc3)O)OC(=O)c4ccccc4
【MOL File】
BENZYL 2-ACETAMIDO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL 2-ACETAMIDO-3,6-DI-O-BENZOYL-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE.cml