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Tebipenem Pivoxil Impurity 13

CAT: 1596-AR-T01272-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01272-01Size:10 Units
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CAS Number
137391-68-5
Synonyms
(R) -4-nitrobenzyl 2-diazo-4- ((2R,3S) -3- ((R) -1-hydroxyethyl) -4-oxoazetidin-2-yl) -3-oxopentanoate; (3S,4R) -3-[ (1R) -1-Hydroxyethyl]-4-[ (1R) -1-methyl-3-diazo-3- (p-nitrobenzyloxycarbonyl) -2-oxopropyl]azetidin-2-one
Molecular Formula
C17H18N4O7
Molecular Weight
390.35
API Name
Tebipenem Pivoxil

Chemical Information

(R)-4-Nitrobenzyl 2-diazo-4-((2R,3S)-3-((R)-1-hydroxyethyl)-4-oxoazetidin-2-yl)-3-oxopentanoate
CAS Number137391-68-5
PubChem CID57009450
IUPAC Name(4-nitrophenyl)methyl (4R)-2-diazo-4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-3-oxopentanoate
Molecular FormulaC17H18N4O7
Molecular Weight390.3
XLogP1.5
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity705
SMILES
C[C@H]([C@@H]1[C@H](NC1=O)[C@@H](C)C(=O)C(=[N+]=[N-])C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C17H18N4O7/c1-8(13-12(9(2)22)16(24)19-13)15(23)14(20-18)17(25)28-7-10-3-5-11(6-4-10)21(26)27/h3-6,8-9,12-13,22H,7H2,1-2H3,(H,19,24)/t8-,9-,12-,13-/m1/s1
InChIKey
FDXUXRZSNNSUGD-NRMKKVEVSA-N
Chemical Structure
2D Structure
2D structure of (R)-4-Nitrobenzyl 2-diazo-4-((2R,3S)-3-((R)-1-hydroxyethyl)-4-oxoazetidin-2-yl)-3-oxopentanoate
CAS: 137391-68-5
CID: 57009450
Formula: C17H18N4O7
MW: 390.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.3
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass390.11754893
Monoisotopic Mass390.11754893
Topological Polar Surface Area141 Ų
Heavy Atom Count28
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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