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Liraglutide Impurity 59

CAT: 1299-RM-L090159-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L090159-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
294855-91-7
Synonyms
(S) -5- ((2,5-dioxopyrrolidin-1-yl) oxy) -5-oxo-2-palmitamidopentanoic acid
Molecular Formula
C25H42N2O7
Molecular Weight
482.62
Target Alternative Name
Liraglutide
Product Name Synonym
(S) -5- ((2,5-dioxopyrrolidin-1-yl) oxy) -5-oxo-2-palmitamidopentanoic acid

Chemical Information

Pal-Glu(OSu)-OH
CAS Number294855-91-7
PubChem CID87534712
IUPAC Name(2S)-5-(2,5-dioxopyrrolidin-1-yl)oxy-2-(hexadecanoylamino)-5-oxopentanoic acid
Molecular FormulaC25H42N2O7
Molecular Weight482.6
XLogP5.8
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count21
Heavy Atom Count34
Formal Charge0
Complexity650
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)O
InChI
InChI=1S/C25H42N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(28)26-20(25(32)33)16-19-24(31)34-27-22(29)17-18-23(27)30/h20H,2-19H2,1H3,(H,26,28)(H,32,33)/t20-/m0/s1
InChIKey
KLBZDGJNRTVIAJ-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Pal-Glu(OSu)-OH
CAS: 294855-91-7
CID: 87534712
Formula: C25H42N2O7
MW: 482.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.6
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count21
Exact Mass482.29920168
Monoisotopic Mass482.29920168
Topological Polar Surface Area130 Ų
Heavy Atom Count34
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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