2,3,4,6-Tetra-O-benzyl-1,5-di-O-methanesulfonyl-D-glucitol - CAS 77698-99-8

Catalog:	BB057630
Product Name:	2,3,4,6-Tetra-O-benzyl-1,5-di-O-methanesulfonyl-D-glucitol
CAS:	77698-99-8
Synonyms:	2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucitol Dimethanesulfonate

Technical Data

IUPAC Name:	[(2S,3R,4S,5R)-5-methylsulfonyloxy-2,3,4,6-tetrakis(phenylmethoxy)hexyl] methanesulfonate
Description:	2,3,4,6-Tetra-O-benzyl-1,5-di-O-methanesulfonyl-D-glucitol is used in the synthesis of pharmaceutically active aza-sugar piperidine derivatives as inhibitors of galactosidase and glucosylceramide synthase.
Molecular Weight:	698.84
Molecular Formula:	C36H42O10S2
Canonical SMILES:	CS(=O)(=O)OCC(C(C(C(COCC1=CC=CC=C1)OS(=O)(=O)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI:	InChI=1S/C36H42O10S2/c1-47(37,38)45-28-33(42-24-30-17-9-4-10-18-30)35(43-25-31-19-11-5-12-20-31)36(44-26-32-21-13-6-14-22-32)34(46-48(2,39)40)27-41-23-29-15-7-3-8-16-29/h3-22,33-36H,23-28H2,1-2H3/t33-,34+,35+,36+/m0/s1
InChI Key:	PSRQUUMTYKKBPW-NJMTUYGZSA-N
Solubility:	Chloroform, Dichloromethane, Methanol
Appearance:	Light Orange Liquid
References:	Fowler, P.A..

Complexity:	1070
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	4
Defined Bond Stereocenter Count:	0
Exact Mass:	698.22193988
Formal Charge:	0
Heavy Atom Count:	48
Hydrogen Bond Acceptor Count:	10
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	698.22193988
Rotatable Bond Count:	21
Topological Polar Surface Area:	140Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7