71208-01-0
BENZYL 2-ACETAMIDO-6-O-BENZYL-4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
NameBENZYL 2-ACETAMIDO-6-O-BENZYL-4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
1Identification
【Name】
BENZYL 2-ACETAMIDO-6-O-BENZYL-4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD02094202
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C36 H45 N O15
【pro_molWeight】
731.744
【Inchi】
InChI=1S/C36H45NO15/c1-20(38)37-29-30(43)31(27(18-44-16-25-12-8-6-9-13-25)50-35(29)46-17-26-14-10-7-11-15-26)52-36-34(49-24(5)42)33(48-23(4)41)32(47-22(3)40)28(51-36)19-45-21(2)39/h6-15,27-36,43H,16-19H2,1-5H3,(H,37,38)/t27-,28-,29-,30-,31-,32+,33+,34-,35+,36+/m1/s1
【InChIKey】
InChIKey=VGBWYAPUIAFWOX-UMDPMRKTSA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O
【MOL File】
BENZYL 2-ACETAMIDO-6….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:16
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
BENZYL 2-ACETAMIDO-6-O-BENZYL-4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE.cml