(1S,2S,3R,4R,5R)-1-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)hexane-1,2,3,4,5,6-hexaol - CAS 2452301-18-5
Catalog: |
BB069719 |
Product Name: |
(1S,2S,3R,4R,5R)-1-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)hexane-1,2,3,4,5,6-hexaol |
CAS: |
2452301-18-5 |
Synonyms: |
L6DLZ2C9T4; (1S)-1-C-(4-Chloro-3-((4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methyl)phenyl)-D-glucitol; (1S,2S,3R,4R,5R)-1-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)hexane-1,2,3,4,5,6-hexaol; Empagliflozin Impurity pound(c); (1S,2S,3R,4R,5R)-1-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)hexane-1,2,3,4,5,6-hexaol ( |
IUPAC Name: | (1S,2S,3R,4R,5R)-1-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]hexane-1,2,3,4,5,6-hexol |
Description: | (1S,2S,3R,4R,5R)-1-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)hexane-1,2,3,4,5,6-hexaol is a useful research chemical compound. |
Molecular Weight: | 468.93 |
Molecular Formula: | C23H29ClO8 |
Canonical SMILES: | C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)C(C(C(C(C(CO)O)O)O)O)O)Cl |
InChI: | InChI=1S/C23H29ClO8/c24-18-6-3-14(20(27)22(29)23(30)21(28)19(26)11-25)10-15(18)9-13-1-4-16(5-2-13)32-17-7-8-31-12-17/h1-6,10,17,19-23,25-30H,7-9,11-12H2/t17-,19+,20-,21+,22-,23-/m0/s1 |
InChI Key: | RKDDAJYLEWTGMU-SCTSWAKVSA-N |
Complexity: | 546 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 6 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 468.1550956 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 468.1550956 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 140Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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