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Empagliflozin Impurity 88

CAT: 1299-RM-E131688-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E131688-01Size:10 mg
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CAS Number
2348-31-4
Synonyms
(3R,4S,5R) -5- ((R) -2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctan-4-yl) -3,4-bis ((trimethylsilyl) oxy) dihydrofuran-2 (3H) -one
Molecular Formula
C18H42O6Si4
Molecular Weight
466.86
Target Alternative Name
Empagliflozin
Product Name Synonym
(3R,4S,5R) -5- ((R) -2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctan-4-yl) -3,4-bis ((trimethylsilyl) oxy) dihydrofuran-2 (3H) -one

Chemical Information

(3R,4S,5R)-5-((R)-2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctan-4-yl)-3,4-bis((trimethylsilyl)oxy)dihydrofuran-2(3H)-one
CAS Number2348-31-4
PubChem CID14768026
IUPAC Name(3R,4S,5R)-5-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
Molecular FormulaC18H42O6Si4
Molecular Weight466.9
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity530
SMILES
C[Si](C)(C)OC[C@H]([C@@H]1[C@@H]([C@H](C(=O)O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI
InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1
InChIKey
FTOCXQVQZOFUDF-WCXIOVBPSA-N
Chemical Structure
2D Structure
2D structure of (3R,4S,5R)-5-((R)-2,2,7,7-Tetramethyl-3,6-dioxa-2,7-disilaoctan-4-yl)-3,4-bis((trimethylsilyl)oxy)dihydrofuran-2(3H)-one
CAS: 2348-31-4
CID: 14768026
Formula: C18H42O6Si4
MW: 466.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight466.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass466.20584519
Monoisotopic Mass466.20584519
Topological Polar Surface Area63.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes