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Faropenem Impurity 7

CAT: 1596-AR-F01063-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01063-06Size:250 Units
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CAS Number
120705-68-2
Synonyms
(5R,6S) -allyl 6- ((R) -1- ((tert-butyldimethylsilyl) oxy) ethyl) -7-oxo-3- ((R) -tetrahydrofuran-2-yl) -4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Formula
C21H33NO5SSi
Molecular Weight
439.65
API Name
Faropenem

Chemical Information

4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(tetrahydro-2-furanyl)-, 2-propenyl ester, [5R-[3(S*),5alpha,6alpha(R*)]]-
CAS Number120705-68-2
PubChem CID13880328
IUPAC Nameprop-2-enyl (5R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-3-[(2S)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular FormulaC21H33NO5SSi
Molecular Weight439.6
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity729
SMILES
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@@H]3CCCO3)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C21H33NO5SSi/c1-8-11-26-20(24)16-17(14-10-9-12-25-14)28-19-15(18(23)22(16)19)13(2)27-29(6,7)21(3,4)5/h8,13-15,19H,1,9-12H2,2-7H3/t13-,14+,15+,19-/m1/s1
InChIKey
MASHLNCIEFIURF-MMMWYMCRSA-N
Chemical Structure
2D Structure
2D structure of 4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(tetrahydro-2-furanyl)-, 2-propenyl ester, [5R-[3(S*),5alpha,6alpha(R*)]]-
CAS: 120705-68-2
CID: 13880328
Formula: C21H33NO5SSi
MW: 439.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass439.18487086
Monoisotopic Mass439.18487086
Topological Polar Surface Area90.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity729
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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