Catalog Number:
AG003FDV
Chemical Name:
2,3,4,6-Tetra-o-benzoyl-alpha-d-glucopyranosyl p-trifluoromethylbenzylthio-n-(p-trifluoromethylphenyl)formimidate
CAS Number:
428816-48-2
Molecular Formula:
C50H37F6NO10S
Molecular Weight:
957.8849
MDL Number:
MFCD29050301
IUPAC Name:
[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[N-[4-(trifluoromethyl)phenyl]-C-[[4-(trifluoromethyl)phenyl]methylsulfanyl]carbonimidoyl]oxyoxan-2-yl]methyl benzoate
InChI:
InChI=1S/C50H37F6NO10S/c51-49(52,53)36-23-21-31(22-24-36)30-68-48(57-38-27-25-37(26-28-38)50(54,55)56)67-47-42(66-46(61)35-19-11-4-12-20-35)41(65-45(60)34-17-9-3-10-18-34)40(64-44(59)33-15-7-2-8-16-33)39(63-47)29-62-43(58)32-13-5-1-6-14-32/h1-28,39-42,47H,29-30H2/t39-,40-,41+,42-,47-/m1/s1
InChI Key:
HTRJVXKRCWWVSR-KPAAGLOJSA-N
SMILES:
O=C(c1ccccc1)O[C@H]1[C@@H](O/C(=N/c2ccc(cc2)C(F)(F)F)/SCc2ccc(cc2)C(F)(F)F)O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
