849207-59-6
4-METHYLUMBELLIFERYL 2-ACETAMIDO-2-DEOXY-3,6-DI-O-PIVALOYL-BETA-D-GALACTOPYRANOSIDE
Name4-METHYLUMBELLIFERYL 2-ACETAMIDO-2-DEOXY-3,6-DI-O-PIVALOYL-BETA-D-GALACTOPYRANOSIDE
1Identification
【Name】
4-METHYLUMBELLIFERYL 2-ACETAMIDO-2-DEOXY-3,6-DI-O-PIVALOYL-BETA-D-GALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD09841033
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C28 H37 N O10
【pro_molWeight】
547.597
【Inchi】
InChI=1S/C28H37NO10/c1-14-11-20(31)37-18-12-16(9-10-17(14)18)36-24-21(29-15(2)30)23(39-26(34)28(6,7)8)22(32)19(38-24)13-35-25(33)27(3,4)5/h9-12,19,21-24,32H,13H2,1-8H3,(H,29,30)/t19-,21-,22+,23-,24-/m1/s1
【InChIKey】
InChIKey=DYXSONYTZFSEJG-PFKOEMKTSA-N
【SMILES】
Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C(C)(C)C)O)OC(=O)C(C)(C)C)NC(=O)C
【MOL File】
4-METHYLUMBELLIFERYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:11
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYLUMBELLIFERYL 2-ACETAMIDO-2-DEOXY-3,6-DI-O-PIVALOYL-BETA-D-GALACTOPYRANOSIDE.cml