55673-91-1
4-METHYLUMBELLIFERYL-2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Name4-METHYLUMBELLIFERYL-2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
4-METHYLUMBELLIFERYL-2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD00057310
【English Synonyms】
【Formula】
C25 H25 N O8
【MolWeight】
467.471
【Inchi】
InChI=1S/C25H25NO8/c1-13-10-20(28)32-18-11-16(8-9-17(13)18)31-25-21(26-14(2)27)22(29)23-19(33-25)12-30-24(34-23)15-6-4-3-5-7-15/h3-11,19,21-25,29H,12H2,1-2H3,(H,26,27)/t19-,21-,22-,23-,24?,25-/m0/s1
【InChIKey】
InChIKey=BPLXEJLPANVWGR-DKIIQLNLSA-N
【SMILES】
Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@H]([C@@H]([C@@H]4[C@@H](O3)COC(O4)c5ccccc5)O)NC(=O)C
【MOL File】
4-METHYLUMBELLIFERYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYLUMBELLIFERYL-2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSIDE.cml