Home Halogens 2,3,4,6-Tetra-O-benzyl-α-D-glucopyranosyl trichloroacetimidate

2,3,4,6-Tetra-O-benzyl-α-D-glucopyranosyl trichloroacetimidate

CAS No.:
74808-09-6
Catalog Number:
AG0032X5
Molecular Formula:
C36H36Cl3NO6
Molecular Weight:
685.0331
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Product Description
Catalog Number:
AG0032X5
Chemical Name:
2,3,4,6-Tetra-O-benzyl-α-D-glucopyranosyl trichloroacetimidate
CAS Number:
74808-09-6
Molecular Formula:
C36H36Cl3NO6
Molecular Weight:
685.0331
MDL Number:
MFCD03427010
IUPAC Name:
[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 2,2,2-trichloroethanimidate
InChI:
InChI=1S/C36H36Cl3NO6/c37-36(38,39)35(40)46-34-33(44-24-29-19-11-4-12-20-29)32(43-23-28-17-9-3-10-18-28)31(42-22-27-15-7-2-8-16-27)30(45-34)25-41-21-26-13-5-1-6-14-26/h1-20,30-34,40H,21-25H2/t30-,31-,32+,33-,34-/m1/s1
InChI Key:
LMICALCPRSCSMO-BGSSSCFASA-N
SMILES:
N=C(C(Cl)(Cl)Cl)O[C@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
868  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
683.161g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
685.035g/mol
Monoisotopic Mass:
683.161g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5  
Literature
Title Journal
A new synthesis of alpha-arbutin via Lewis acid catalyzed selective glycosylation of tetra-O-benzyl-alpha-D-glucopyranosyl trichloroacetimidate with hydroquinone. Carbohydrate research 20060814
Properties