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5-Fluoro-L-tryptophan

CAT: 0926-FF77439-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FF77439-01Size:0.5 g
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CAS Number
16626-02-1
MDL Number
MFCD00066470
Smiles
C1=CC2=C (C=C1F) C (=CN2) C[C@@H] (C (=O) O) N
Molecular Formula
C11H11FN2O2
Molecular Weight
222.22 g/mol
Controlled
No

Chemical Information

5-Fluorotryptophan

5-fluorotryptophan can be used as substrate analogue to study enzyme mechanisms by NMR spectroscopy.

CAS Number16626-02-1
PubChem CID688357
IUPAC Name(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
Molecular FormulaC11H11FN2O2
Molecular Weight222.22
XLogP-0.7
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity275
SMILES
C1=CC2=C(C=C1F)C(=CN2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChIKey
INPQIVHQSQUEAJ-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of 5-Fluorotryptophan
CAS: 16626-02-1
CID: 688357
Formula: C11H11FN2O2
MW: 222.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.22
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass222.08045576
Monoisotopic Mass222.08045576
Topological Polar Surface Area79.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity275
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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