79580-70-4
METHYL 2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANESULFONONYL-ALPHA-D-GALACTOPYRANOSIDE
NameMETHYL 2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANESULFONONYL-ALPHA-D-GALACTOPYRANOSIDE
1Identification
【Name】
METHYL 2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANESULFONONYL-ALPHA-D-GALACTOPYRANOSIDE
【CAS】
【MDL】
MFCD03425612
【English Synonyms】
【Formula】
C29 H25 F3 O11 S
【MolWeight】
638.565
【Inchi】
InChI=1S/C29H25F3O11S/c1-38-28-24(42-27(35)20-15-9-4-10-16-20)23(41-26(34)19-13-7-3-8-14-19)22(43-44(36,37)29(30,31)32)21(40-28)17-39-25(33)18-11-5-2-6-12-18/h2-16,21-24,28H,17H2,1H3/t21-,22+,23+,24-,28+/m1/s1
【InChIKey】
InChIKey=WEFZNIIQVROKGK-SUWSLWCISA-N
【SMILES】
CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)c2ccccc2)OS(=O)(=O)C(F)(F)F)OC(=O)c3ccccc3)OC(=O)c4ccccc4
【MOL File】
METHYL 2,3,6-TRI-O-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2,3,6-TRI-O-BENZOYL-4-O-TRIFLUOROMETHANESULFONONYL-ALPHA-D-GALACTOPYRANOSIDE.cml