(2S,3S,4R,5S,6R)-2-[3-(4-Chlorobenzyl)-4-methylphenyl]-6-(methylthio)tetrahydropyran-3,4,5-triyl Triacetate - CAS 1610954-90-9
Catalog: |
BB011697 |
Product Name: |
(2S,3S,4R,5S,6R)-2-[3-(4-Chlorobenzyl)-4-methylphenyl]-6-(methylthio)tetrahydropyran-3,4,5-triyl Triacetate |
CAS: |
1610954-90-9 |
Synonyms: |
acetic acid [(2S,3S,4R,5S,6R)-3,5-diacetyloxy-2-[3-[(4-chlorophenyl)methyl]-4-methylphenyl]-6-(methylthio)-4-oxanyl] ester; [(2S,3S,4R,5S,6R)-3,5-diacetyloxy-2-[3-[(4-chlorophenyl)methyl]-4-methylphenyl]-6-methylsulfanyloxan-4-yl] acetate |
IUPAC Name: | [(2S,3S,4R,5S,6R)-3,5-diacetyloxy-2-[3-[(4-chlorophenyl)methyl]-4-methylphenyl]-6-methylsulfanyloxan-4-yl] acetate |
Description: | (2S,3S,4R,5S,6R)-2-[3-(4-Chlorobenzyl)-4-methylphenyl]-6-(methylthio)tetrahydropyran-3,4,5-triyl Triacetate (CAS# 1610954-90-9 ) is a useful research chemical. |
Molecular Weight: | 521.02 |
Molecular Formula: | C26H29ClO7S |
Canonical SMILES: | CC1=C(C=C(C=C1)C2C(C(C(C(O2)SC)OC(=O)C)OC(=O)C)OC(=O)C)CC3=CC=C(C=C3)Cl |
InChI: | InChI=1S/C26H29ClO7S/c1-14-6-9-19(13-20(14)12-18-7-10-21(27)11-8-18)22-23(31-15(2)28)24(32-16(3)29)25(33-17(4)30)26(34-22)35-5/h6-11,13,22-26H,12H2,1-5H3/t22-,23-,24+,25-,26+/m0/s1 |
InChI Key: | DNHNWFCEJXBXNL-HEXNFIEUSA-N |
LogP: | 4.79470 |
Publication Number | Title | Priority Date |
AU-2013348233-A1 | Inhibitors of sodium glucose cotransporter 1 | 20121120 |
AU-2013348233-B2 | Inhibitors of sodium glucose cotransporter 1 | 20121120 |
AU-2013348233-C1 | Inhibitors of sodium glucose cotransporter 1 | 20121120 |
EP-2925735-A1 | Inhibitors of sodium glucose cotransporter 1 | 20121120 |
EP-2925735-B1 | Inhibitors of sodium glucose cotransporter 1 | 20121120 |
Complexity: | 741 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 5 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 520.1322521000001 |
Formal Charge: | 0 |
Heavy Atom Count: | 35 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 520.1322521000001 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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