5041-92-9
4'-CHLOROPHENYL-2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
Name4'-CHLOROPHENYL-2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
4'-CHLOROPHENYL-2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD00338606
【English Synonyms】
【Formula】
C20 H23 Cl O10
【MolWeight】
458.845
【Inchi】
InChI=1S/C20H23ClO10/c1-10(22)26-9-16-17(27-11(2)23)18(28-12(3)24)19(29-13(4)25)20(31-16)30-15-7-5-14(21)6-8-15/h5-8,16-20H,9H2,1-4H3/t16-,17-,18+,19-,20-/m1/s1
【InChIKey】
InChIKey=SALMOSOXXNZOJP-OUUBHVDSSA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2)Cl)OC(=O)C)OC(=O)C)OC(=O)C
【MOL File】
4'-CHLOROPHENYL-2,3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4'-CHLOROPHENYL-2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSIDE.cml