98911-23-0
N-ACETYL-4-(4-CHLOROPHENOXY)ANILINO BETA-D-GLYCOPYRANOSIDE
NameN-ACETYL-4-(4-CHLOROPHENOXY)ANILINO BETA-D-GLYCOPYRANOSIDE
pro_formulaC20 H22 Cl N O8
1Identification
【Name】
N-ACETYL-4-(4-CHLOROPHENOXY)ANILINO BETA-D-GLYCOPYRANOSIDE
【CAS】
【MDL】
MFCD08705632
【EnglishSynonyms】
【pro_formula】
C20 H22 Cl N O8
【pro_molWeight】
439.846
【Inchi】
InChI=1S/C20H22ClNO8/c1-11(24)22(30-20-19(27)18(26)17(25)16(10-23)29-20)13-4-8-15(9-5-13)28-14-6-2-12(21)3-7-14/h2-9,16-20,23,25-27H,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
【InChIKey】
InChIKey=AWECIOWHICWSBI-OBKDMQGPSA-N
【SMILES】
CC(=O)N(c1ccc(cc1)Oc2ccc(cc2)Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
【MOL File】
N-ACETYL-4-(4-CHLORO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:9
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-ACETYL-4-(4-CHLOROPHENOXY)ANILINO BETA-D-GLYCOPYRANOSIDE.cml