1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose 3-p-Toluenesulfonate - CAS 3253-75-6

Catalog:	BB067363
Product Name:	1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose 3-p-Toluenesulfonate
CAS:	3253-75-6
Synonyms:	1,2:5,6-Di-O-isopropylidene-glucofuranose p-Toluenesulfonate; 1,2:5,6-Bis-O-(1-methylethylidene)-α-D-glucofuranose 4-Methylbenzenesulfonate; Furo[2,3-d]-1,3-dioxole α-D-glucofuranose Deriv.; NSC 14163

Technical Data

IUPAC Name:	[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
Description:	1,2:5,6-Di-O-isopropylidene-α-D-glucofuranose 3-p-Toluenesulfonate is used in the synthesis of a highly constrained adenosine derivative of 5'-Deoxy-5'-methylthioadenosine (MTA) which is 4',4'-spirothietane-2',N3-cycloadenosine.
Molecular Weight:	414.47
Molecular Formula:	C19H26O8S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC3C2OC(O3)(C)C)C4COC(O4)(C)C
InChI:	InChI=1S/C19H26O8S/c1-11-6-8-12(9-7-11)28(20,21)27-15-14(13-10-22-18(2,3)24-13)23-17-16(15)25-19(4,5)26-17/h6-9,13-17H,10H2,1-5H3
InChI Key:	FOVFLADZRUACHW-UHFFFAOYSA-N
References:	De Carvalho, G. S. G., et al. Tetrahedron Lett., 50, 463-466 (2009).

Complexity:	677
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	414.13483896
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	414.13483896
Rotatable Bond Count:	4
Topological Polar Surface Area:	97.9Å²
Undefined Atom Stereocenter Count:	5
Undefined Bond Stereocenter Count:	0
XLogP3:	2