84065-98-5
A-D-GALACTOPYRANOSIDE,METHY-4-DEOXY-4-FLUORO-,TRIBENZOATE
NameA-D-GALACTOPYRANOSIDE,METHY-4-DEOXY-4-FLUORO-,TRIBENZOATE
1Identification
【Name】
A-D-GALACTOPYRANOSIDE,METHY-4-DEOXY-4-FLUORO-,TRIBENZOATE
【CAS】
【MDL】
MFCD08703804
【English Synonyms】
【Formula】
C28 H25 F O8
【MolWeight】
508.496
【Inchi】
InChI=1S/C28H25FO8/c1-33-28-24(37-27(32)20-15-9-4-10-16-20)23(36-26(31)19-13-7-3-8-14-19)22(29)21(35-28)17-34-25(30)18-11-5-2-6-12-18/h2-16,21-24,28H,17H2,1H3/t21-,22+,23+,24-,28+/m1/s1
【InChIKey】
InChIKey=DIJCUJJYNKHAJY-SUWSLWCISA-N
【SMILES】
CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)c2ccccc2)F)OC(=O)c3ccccc3)OC(=O)c4ccccc4
【MOL File】
A-D-GALACTOPYRANOSID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
A-D-GALACTOPYRANOSIDE,METHY-4-DEOXY-4-FLUORO-,TRIBENZOATE.cml