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D-Kynurenine

CAT: 0607-BA5842-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5842-50Size:50 mg
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CAS Number
13441-51-5
Form
A solid
Molecular Formula
C10H12N2O3
Molecular Weight
208.21
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

D-Kynurenine

D-kynurenine is a kynurenine that has D configuration. It has a role as a human metabolite. It is a D-alpha-amino acid and a kynurenine. It is an enantiomer of a L-kynurenine.

CAS Number13441-51-5
PubChem CID1152206
IUPAC Name(2R)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
Molecular FormulaC10H12N2O3
Molecular Weight208.21
XLogP-2.2
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity255
SMILES
C1=CC=C(C(=C1)C(=O)C[C@H](C(=O)O)N)N
InChI
InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m1/s1
InChIKey
YGPSJZOEDVAXAB-MRVPVSSYSA-N
Chemical Structure
2D Structure
2D structure of D-Kynurenine
CAS: 13441-51-5
CID: 1152206
Formula: C10H12N2O3
MW: 208.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight208.21
XLogP3-2.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass208.08479225
Monoisotopic Mass208.08479225
Topological Polar Surface Area106 Ų
Heavy Atom Count15
Formal Charge0
Complexity255
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