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25197-96-0

25197-96-0 structural image
Product Name: 5-METHOXY-L-TRYPTOPHAN
Formula: C12H14N2O3
Synonyms: 5-Methoxy-L-tryptophan;L-2-Amino-3-(5-methoxyindolyl)propionic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 156.2 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 234.25 g/mol
XLogP3 -0.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 234.10044231 g/mol
Monoisotopic Mass 234.10044231 g/mol
Topological Polar Surface Area 88.3 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 285
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

PRODUCT INTRODUCTION

description

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.