59868-86-9
4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4,6-O-P-METHOXYBENZYLIDENE-ALPHA-D-GALACTOPYRANOSIDE
Name4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4,6-O-P-METHOXYBENZYLIDENE-ALPHA-D-GALACTOPYRANOSIDE
1Identification
【Name】
4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4,6-O-P-METHOXYBENZYLIDENE-ALPHA-D-GALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD09750667
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H24 N2 O9
【pro_molWeight】
460.437
【Inchi】
InChI=1S/C22H24N2O9/c1-12(25)23-18-19(26)20-17(11-30-21(33-20)13-3-7-15(29-2)8-4-13)32-22(18)31-16-9-5-14(6-10-16)24(27)28/h3-10,17-22,26H,11H2,1-2H3,(H,23,25)/t17-,18-,19-,20+,21?,22+/m1/s1
【InChIKey】
InChIKey=HOEPAZQRIWDZCE-JPMMBXSKSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccc(cc3)OC)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])O
【MOL File】
4-NITROPHENYL 2-ACET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:11
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-NITROPHENYL 2-ACETAMIDO-2-DEOXY-4,6-O-P-METHOXYBENZYLIDENE-ALPHA-D-GALACTOPYRANOSIDE.cml