[4-Chloro-3-(4-ethoxybenzyl)phenyl][(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanone - CAS 1103738-30-2
Catalog: |
BB002618 |
Product Name: |
[4-Chloro-3-(4-ethoxybenzyl)phenyl][(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanone |
CAS: |
1103738-30-2 |
Synonyms: |
[(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]methanone; [(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]methanone |
IUPAC Name: | [(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]methanone |
Description: | [4-Chloro-3-(4-ethoxybenzyl)phenyl][(3aS,5R,6S,6aS)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methanone (CAS# 1103738-30-2 ) is a useful research chemical. |
Molecular Weight: | 432.89 |
Molecular Formula: | C23H25ClO6 |
Canonical SMILES: | CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C(=O)C3C(C4C(O3)OC(O4)(C)C)O)Cl |
InChI: | InChI=1S/C23H25ClO6/c1-4-27-16-8-5-13(6-9-16)11-15-12-14(7-10-17(15)24)18(25)20-19(26)21-22(28-20)30-23(2,3)29-21/h5-10,12,19-22,26H,4,11H2,1-3H3/t19-,20+,21+,22+/m1/s1 |
InChI Key: | TUBVOYXRJBKZBN-MLNNCEHLSA-N |
LogP: | 3.74950 |
Publication Number | Title | Priority Date |
CN-108675976-B | 6-halogenated glucose carbon glycoside and preparation method and application thereof | 20180514 |
AU-2012204567-A1 | Compositions comprising and methods of using inhibitors of sodium-glucose cotransporters 1 and 2 | 20110105 |
BR-112013017314-B1 | tablet comprising sodium and glucose co-carrier inhibitors 1 and 2 | 20110105 |
DK-2661256-T3 | COMPOSITIONS INCLUDING (2S, 3R, 4R, 5S, 6R) -2- (4- CHLOR-3- (4-ETHOXYBENZYL) PHENYL) -6- (METHYLTHIO) TETRAHYDRO-2H-PYRANE-3,4,5-TRIOL | 20110105 |
EP-2661256-A1 | Compositions comprising and methods of using inhibitors of sodium-glucose cotransporters 1 and 2 | 20110105 |
Complexity: | 605 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 432.1339662 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 432.1339662 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 74.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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