2,3,4,6-Tetra-O-benzyl-D-glucopyranosyl Acetate - CAS 80300-30-7

Name: 2,3,4,6-Tetra-O-benzyl-D-glucopyranosyl Acetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB057629
Product Name:	2,3,4,6-Tetra-O-benzyl-D-glucopyranosyl Acetate
CAS:	80300-30-7
Synonyms:	1-O-Acetyl-2,3,4,6-tetra-O-benzyl-D-glucose; 2,3,4,6-Tetra-O-benzyl-D-glucose 1-Acetate; 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose; 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-glucopyranose 1-Acetate

Technical Data

IUPAC Name:	[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
Description:	2,3,4,6-Tetra-O-benzyl-D-glucopyranosyl Acetate is an intermediate in the synthesis of glycosyl thiols and drug mercapto-analogs.
Molecular Weight:	582.68
Molecular Formula:	C36H38O7
Canonical SMILES:	CC(=O)OC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI:	InChI=1S/C36H38O7/c1-27(37)42-36-35(41-25-31-20-12-5-13-21-31)34(40-24-30-18-10-4-11-19-30)33(39-23-29-16-8-3-9-17-29)32(43-36)26-38-22-28-14-6-2-7-15-28/h2-21,32-36H,22-26H2,1H3/t32-,33-,34+,35-,36?/m1/s1
InChI Key:	YYFLBSFJOGQSRA-KXCACMGXSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Clear Colourless Oil
Storage:	Refrigerator
References:	Shu, P., et al. Green. Chem., 17, 2545 (2015).

Complexity:	768
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	4
Defined Bond Stereocenter Count:	0
Exact Mass:	582.26175355
Formal Charge:	0
Heavy Atom Count:	43
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	582.26175355
Rotatable Bond Count:	15
Topological Polar Surface Area:	72.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	5.6