137686-92-1
4-METHYLUMBELLIFERYL 3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRIFLUOROACETAMIDO-ALPHA-D-GLUCOPYRANOSIDE
Name4-METHYLUMBELLIFERYL 3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRIFLUOROACETAMIDO-ALPHA-D-GLUCOPYRANOSIDE
1Identification
【Name】
4-METHYLUMBELLIFERYL 3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRIFLUOROACETAMIDO-ALPHA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD04039628
【English Synonyms】
【Formula】
C24 H24 F3 N O11
【MolWeight】
559.444
【Inchi】
InChI=1S/C24H24F3NO11/c1-10-7-18(32)38-16-8-14(5-6-15(10)16)37-22-19(28-23(33)24(25,26)27)21(36-13(4)31)20(35-12(3)30)17(39-22)9-34-11(2)29/h5-8,17,19-22H,9H2,1-4H3,(H,28,33)/t17-,19-,20-,21-,22+/m1/s1
【InChIKey】
InChIKey=MGLRSUPYLXVODY-FYKMYLNBSA-N
【SMILES】
Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C(F)(F)F
【MOL File】
4-METHYLUMBELLIFERYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:12
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYLUMBELLIFERYL 3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRIFLUOROACETAMIDO-ALPHA-D-GLUCOPYRANOSIDE.cml