3-O-Methyl L-DOPA monohydrate

CAT: 0926-FM25519-01Size: 0.03 gDry Ice: NoHazardous: No

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CAT#:0926-FM25519-01Size:0.03 g

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CAS Number

200630-46-2

Synonyms

3-Methoxy-L-tyrosine monohydrate;3-Methoxy-4-hydroxyphenylalanine monohydrate

MDL Number

MFCD27978071

Smiles

COC1=C (C=CC (=C1) C[C@@H] (C (=O) O) N) O.O

Molecular Formula

C10H13NO4·H2O

Molecular Weight

229.23 g/mol

Controlled

Chemical Information

3-O-Methyldopa monohydrate

CAS Number	200630-46-2
PubChem CID	46782236
IUPAC Name	(2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid;hydrate
Molecular Formula	C10H15NO5
Molecular Weight	229.23
Topological Polar Surface Area	93.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	221

SMILES

COC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O.O

InChI

InChI=1S/C10H13NO4.H2O/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14;/h2-3,5,7,12H,4,11H2,1H3,(H,13,14);1H2/t7-;/m0./s1

InChIKey

IDRRCKUGGXLORG-FJXQXJEOSA-N

Chemical Structure

2D Structure

CAS: 200630-46-2

CID: 46782236

Formula: C10H15NO5

MW: 229.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.23
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	229.09502258
Monoisotopic Mass	229.09502258
Topological Polar Surface Area	93.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	221
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	2
Compound Is Canonicalized	Yes

Catalog	Name
MG10447	3'-O- (b-D-Glucopyranosyl) -L-DOPA
FD22596-01	L-DOPA methyl ester hydrochloride
MG10448	4'-O- (β-D-Glucopyranosyl) -L-DOPA
MD11581	3',4'-Di-O- (b-D-glucopyranosyl) -L-DOPA
FAA48679-01	L-Alpha-methyl dopa dimethyl ether hydrochloride
MM08857-01	Methyl 3-O-benzyl-a-L-rhamnopyranoside
FM49602-01	O-Methyl-L-threonine
FM25869-01	O-Methyl-L-tyrosine
MM05301-01	1-O-Methyl-alpha-D-galactopyranoside monohydrate
MM181449-01	Methyl 4-O-methyl-β-L-arabinopyranoside

Catalog	Name
282432-01	3-O-Methyl L-DOPA monohydrate
TRC-M303815-100MG	3-O-Methyl-L-DOPA Monohydrate
016758	3-O-Methyl-L-DOPA-d3 Monohydrate
sc-257935	(-) -O, O'-Dibenzoyl-L-tartaric acid monohydrate
TRC-M305255-10MG	N-Methyl-L-serine Monohydrate
OR1014432-01	N-Methyl-L-proline Monohydrate
AR-L06224-01	3-Methoxy-L-tyrosine Monohydrate
BIA1405	3-Amino-L-tyrosine dihydrochloride monohydrate
TMID-0114-01	3-Methoxy-L-tyrosine-d3 monohydrate
sc-283926	3,5-Dinitro-L-tyrosine monohydrate