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Dapagliflozin Impurity 212

CAT: 1299-RM-D160912-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D160912-01Size:10 mg
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CAS Number
34290-52-3
Synonyms
Trimethylsilyl (2R,3S,4R,5R) -2,3,4,5,6-pentakis ((trimethylsilyl) oxy) hexanoate
Molecular Formula
C24H60O7Si6
Molecular Weight
629.25
Target Alternative Name
Dapagliflozin
Product Name Synonym
Trimethylsilyl (2R,3S,4R,5R) -2,3,4,5,6-pentakis ((trimethylsilyl) oxy) hexanoate

Chemical Information

Dapagliflozin Impurity 212
CAS Number34290-52-3
PubChem CID523310
IUPAC Nametrimethylsilyl (2R,3S,4R,5R)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanoate
Molecular FormulaC24H60O7Si6
Molecular Weight629.2
Topological Polar Surface Area72.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count37
Formal Charge0
Complexity710
SMILES
C[Si](C)(C)OC[C@H]([C@H]([C@@H]([C@H](C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI
InChI=1S/C24H60O7Si6/c1-32(2,3)26-19-20(27-33(4,5)6)21(28-34(7,8)9)22(29-35(10,11)12)23(30-36(13,14)15)24(25)31-37(16,17)18/h20-23H,19H2,1-18H3/t20-,21-,22+,23-/m1/s1
InChIKey
IVIMVRAMMWQMHJ-BXXSPATCSA-N
Chemical Structure
2D Structure
2D structure of Dapagliflozin Impurity 212
CAS: 34290-52-3
CID: 523310
Formula: C24H60O7Si6
MW: 629.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight629.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass628.29546346
Monoisotopic Mass628.29546346
Topological Polar Surface Area72.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity710
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

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