Catalog Number:
AG0010NX
Chemical Name:
2,3,4,6-Tetra-o-benzoyl-beta-d-glucopyranosyl isothiocyanate
CAS Number:
132413-50-4
Molecular Formula:
C35H27NO9S
Molecular Weight:
637.6552
MDL Number:
MFCD00075064
IUPAC Name:
[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-isothiocyanatooxan-2-yl]methyl benzoate
InChI:
InChI=1S/C35H27NO9S/c37-32(23-13-5-1-6-14-23)41-21-27-28(43-33(38)24-15-7-2-8-16-24)29(44-34(39)25-17-9-3-10-18-25)30(31(42-27)36-22-46)45-35(40)26-19-11-4-12-20-26/h1-20,27-31H,21H2/t27-,28-,29+,30-,31-/m1/s1
InChI Key:
RITGYQZMPNVVEG-PXPWAULYSA-N
SMILES:
S=C=N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H]([C@@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
