L-Kynurenine-d4

CAT: 0127-BUP22997Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22997Size:1 mg

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CAS Number

2672568-86-2

Purity

≥95%

Smiles

C (C ([C@@H] (C (O) =O) N) ([2H]) [2H]) (=O) C1=C (N) C (=CC (=C1) [2H]) [2H]

Chemical Information

L-Kynurenine-d4

CAS Number	2672568-86-2
PubChem CID	162640434
IUPAC Name	(2S)-2-amino-4-(2-amino-3,5-dideuteriophenyl)-3,3-dideuterio-4-oxobutanoic acid
Molecular Formula	C10H12N2O3
Molecular Weight	212.24
XLogP	-2.2
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	255

SMILES

[2H]C1=CC(=C(C(=C1)C(=O)C([2H])([2H])[C@@H](C(=O)O)N)N)[2H]

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-/m0/s1/i1D,4D,5D2

InChIKey

YGPSJZOEDVAXAB-LVQMRTGASA-N

Chemical Structure

2D Structure

CAS: 2672568-86-2

CID: 162640434

Formula: C10H12N2O3

MW: 212.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.24
XLogP3	-2.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	212.10989923
Monoisotopic Mass	212.10989923
Topological Polar Surface Area	106 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	255
Isotope Atom Count	4
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP15764-01	L-Kynurenine
BIB6088-01	L-Kynurenine free base
BIB6312-01	L-Kynurenine sulphate (salt) monohydrate
DE2176	L-Tyrosine-D4
DE2145	L-Alanine-D4
BUP14064-01	D-Kynurenine
BIB6087-01	D-Kynurenine free base
BUP23882-01	Sulfathiazole-d4
DE2121	Nicotinamide-D4
DE2046	Uracil-D4

Catalog	Name
TMID-0071	L-Kynurenine-d4
HY-104026S1	L-Kynurenine-d4-1
TRC-K661007-0.5MG	L-Kynurenine-d4 TFA Salt
HY-104026S2-01	L-Kynurenine-d4-1 (hydrochloride)
453343-01	L-Kynurenine-d4 Trifluoroacetic Acid Salt
AR-K01847-01	D-Kynurenine-d4
A8612-50	L-Kynurenine
GTR19168260-01	Kynurenine (L)
abx282742-01	Kynurenine L