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5-Methoxy-L-tryptophan

CAT: 0127-BIB6103-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIB6103-01Size:100 mg
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CAS Number
25197-96-0
MDL Number
MFCD01074513
Purity
98%
Smiles
COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1
Additionnal Information
Store at or below -20°C
Storage Conditions
Store at -20°C

Chemical Information

5-Methoxytryptophan

5-methoxytryptophan is an L-tryptophan derivative that is L-tryptophan with a methoxy substituent at position 5. It has a role as a metabolite. It is functionally related to a L-tryptophan. It is a tautomer of a 5-methoxy-L-tryptophan zwitterion.

CAS Number25197-96-0
PubChem CID151018
IUPAC Name(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
Molecular FormulaC12H14N2O3
Molecular Weight234.25
XLogP-0.8
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity285
SMILES
COC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)N
InChI
InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKey
KVNPSKDDJARYKK-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxytryptophan
CAS: 25197-96-0
CID: 151018
Formula: C12H14N2O3
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass234.10044231
Monoisotopic Mass234.10044231
Topological Polar Surface Area88.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity285
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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