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3,4-Dihydroxy-L-phenylalanine

CAT: 0926-FD15635-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FD15635-01Size:250 g
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CAS Number
59-92-7
Synonyms
L-DOPA; (S) -2-Amino-3- (3,4-dihydroxyphenyl) propanoic acid; Levodopa; Sinemet; Parcopa
MDL Number
MFCD00002598
Smiles
C1=CC (=C (C=C1C[C@@H] (C (=O) O) N) O) O
Molecular Formula
C9H11NO4
Molecular Weight
197.19 g/mol
Controlled
No

Chemical Information

Levodopa

Levodopa can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number59-92-7
PubChem CID6047
IUPAC Name(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular FormulaC9H11NO4
Molecular Weight197.19
XLogP-2.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity209
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O
InChI
InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKey
WTDRDQBEARUVNC-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of Levodopa
CAS: 59-92-7
CID: 6047
Formula: C9H11NO4
MW: 197.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.19
XLogP3-2.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass197.06880783
Monoisotopic Mass197.06880783
Topological Polar Surface Area104 Ų
Heavy Atom Count14
Formal Charge0
Complexity209
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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Alternative Products

CatalogName
271132-013,4-Dihydroxy-L-phenylalanine
64811919L-DOPA (3,4-Dihydroxy-L-phenylalanine)
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sc-327687AFmoc-3,4-dihydroxy-L-phenylalanine
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