50729-97-0
4'-CHLOROPHENYL 2-ACETAMIDO-3,4,6-TETRA-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Name
4'-CHLOROPHENYL 2-ACETAMIDO-3,4,6-TETRA-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Formula
C20 H24 Cl N O9
MolWeight
457.861
1Identification
【Name】
4'-CHLOROPHENYL 2-ACETAMIDO-3,4,6-TETRA-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD08704062
【English Synonyms】
【Formula】
C20 H24 Cl N O9
【MolWeight】
457.861
【Inchi】
InChI=1S/C20H24ClNO9/c1-10(23)22-17-19(29-13(4)26)18(28-12(3)25)16(9-27-11(2)24)31-20(17)30-15-7-5-14(21)6-8-15/h5-8,16-20H,9H2,1-4H3,(H,22,23)/t16-,17-,18-,19-,20-/m1/s1
【InChIKey】
InChIKey=WYEQTOCFACZKOK-LASHMREHSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)Cl)COC(=O)C)OC(=O)C)OC(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4'-CHLOROPHENYL 2-ACETAMIDO-3,4,6-TETRA-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE.cml
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