Levodopa Impurity 18

CAT: 1299-RM-L041618-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L041618-04Size:100 mg

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CAS Number

26049-87-6

Synonyms

(S) -2-amino-3- (2,4-dihydroxyphenyl) propanoic acid; L-2,4-Dihydroxyphenylalanine

Molecular Formula

C9H11NO4

Molecular Weight

197.19

Target Alternative Name

Levodopa

Product Name Synonym

(S) -2-amino-3- (2,4-dihydroxyphenyl) propanoic acid; L-2,4-Dihydroxyphenylalanine

Chemical Information

2,4-Dihydroxyphenylalanine

(2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoic acid is a tyrosine derivative.

CAS Number	26049-87-6
PubChem CID	152670
IUPAC Name	(2S)-2-amino-3-(2,4-dihydroxyphenyl)propanoic acid
Molecular Formula	C9H11NO4
Molecular Weight	197.19
XLogP	-2.1
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	209

SMILES

C1=CC(=C(C=C1O)O)C[C@@H](C(=O)O)N

InChI

InChI=1S/C9H11NO4/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7,11-12H,3,10H2,(H,13,14)/t7-/m0/s1

InChIKey

UTIMIHJZXIJZKZ-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 26049-87-6

CID: 152670

Formula: C9H11NO4

MW: 197.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.19
XLogP3	-2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	197.06880783
Monoisotopic Mass	197.06880783
Topological Polar Surface Area	104 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	209
Isotope Atom Count	0
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