(2S,3S,4R,5S,6R)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylthio)tetrahydropyran-3,4,5-triyl Triacetate - CAS 1018899-03-0

Name: (2S,3S,4R,5S,6R)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylthio)tetrahydropyran-3,4,5-triyl Triacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000686
Product Name:	(2S,3S,4R,5S,6R)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylthio)tetrahydropyran-3,4,5-triyl Triacetate
CAS:	1018899-03-0
Synonyms:	acetic acid [3,5-diacetyloxy-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(methylthio)-4-oxanyl] ester; [3,5-diacetyloxy-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxan-4-yl] acetate

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IUPAC Name:	[(2S,3S,4R,5S,6R)-3,5-diacetyloxy-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxan-4-yl] acetate
Description:	(2S,3S,4R,5S,6R)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylthio)tetrahydropyran-3,4,5-triyl Triacetate (CAS# 1018899-03-0 ) is a useful research chemical.
Molecular Weight:	551.05
Molecular Formula:	C27H31ClO8S
Canonical SMILES:	CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)SC)OC(=O)C)OC(=O)C)OC(=O)C)Cl
InChI:	InChI=1S/C27H31ClO8S/c1-6-32-21-10-7-18(8-11-21)13-20-14-19(9-12-22(20)28)23-24(33-15(2)29)25(34-16(3)30)26(35-17(4)31)27(36-23)37-5/h7-12,14,23-27H,6,13H2,1-5H3
InChI Key:	ABNIXBQXMYTWSJ-UHFFFAOYSA-N
LogP:	4.88500

Publication Number	Title	Priority Date
WO-2012094293-A1	Compositions comprising and methods of using inhibitors of sodium-glucose cotransporters 1 and 2	20110105
US-2011218159-A1	Methods of using inhibitors of sodium-glucose cotransporters 1 and 2	20100302
WO-2011109333-A1	6 -benzylphenyl- 2 - sulfurterahydropyran-3, 4, 5 -triol derivatives as inhibitors of sodium -glucose cotrans porters 1 and 2 for use in diabetic patients	20100302
EP-2183263-A1	Methods and compounds useful for the preparation of sodium glucose co-transporter 2 inhibitors	20070726
WO-2009014970-A1	Methods and compounds useful for the preparation of sodium glucose co-transporter 2 inhibitors	20070726

Complexity:	774
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	5
Defined Bond Stereocenter Count:	0
Exact Mass:	550.1428168
Formal Charge:	0
Heavy Atom Count:	37
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	550.1428168
Rotatable Bond Count:	12
Topological Polar Surface Area:	123
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.9

(2S,3S,4R,5S,6R)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylthio)tetrahydropyran-3,4,5-triyl Triacetate - CAS 1018899-03-0

Technical Data

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