97242-82-5
METHYL 2-ACETAMIDO-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
NameMETHYL 2-ACETAMIDO-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
pro_formulaC23 H36 N2 O14
1Identification
【Name】
METHYL 2-ACETAMIDO-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD00134903
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C23 H36 N2 O14
【pro_molWeight】
564.537
【Inchi】
InChI=1S/C23H36N2O14/c1-9(27)24-16-18(32)19(14(7-26)37-22(16)33-6)39-23-17(25-10(2)28)21(36-13(5)31)20(35-12(4)30)15(38-23)8-34-11(3)29/h14-23,26,32H,7-8H2,1-6H3,(H,24,27)(H,25,28)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
【InChIKey】
InChIKey=XLIQWEWKKALGPG-LQNYZTQFSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)O
【MOL File】
METHYL 2-ACETAMIDO-4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:16
XLogP3:-1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
METHYL 2-ACETAMIDO-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE.cml