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Faropenem Impurity 23

CAT: 1299-RM-F181623-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F181623-03Size:50 mg
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CAS Number
106559-80-2
Synonyms
(5R,6S) -allyl 6- ((R) -1-hydroxyethyl) -7-oxo-3- ((R) -tetrahydrofuran-2-yl) -4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Formula
C15H19NO5S
Molecular Weight
325.38
Target Alternative Name
Faropenem
Product Name Synonym
(5R,6S) -allyl 6- ((R) -1-hydroxyethyl) -7-oxo-3- ((R) -tetrahydrofuran-2-yl) -4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Chemical Information

(5R,6S)-Allyl 6-((R)-1-hydroxyethyl)-7-oxo-3-((R)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Number106559-80-2
PubChem CID9949208
IUPAC Nameprop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular FormulaC15H19NO5S
Molecular Weight325.4
XLogP1.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity546
SMILES
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)OCC=C)O
InChI
InChI=1S/C15H19NO5S/c1-3-6-21-15(19)11-12(9-5-4-7-20-9)22-14-10(8(2)17)13(18)16(11)14/h3,8-10,14,17H,1,4-7H2,2H3/t8-,9-,10+,14-/m1/s1
InChIKey
KDUOTWOTIWSCEX-DLVJRCHESA-N
Chemical Structure
2D Structure
2D structure of (5R,6S)-Allyl 6-((R)-1-hydroxyethyl)-7-oxo-3-((R)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS: 106559-80-2
CID: 9949208
Formula: C15H19NO5S
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass325.09839388
Monoisotopic Mass325.09839388
Topological Polar Surface Area101 Ų
Heavy Atom Count22
Formal Charge0
Complexity546
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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