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