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L-Tryptophan-1-13C

CAT: 0572-TRC-T947513-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T947513-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81201-92-5
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
N[C@H]([13C](O)=O)CC1=CNC2=C1C=CC=C2
Molecular Formula
C1013CH12N2O2
Molecular Weight
205.22
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

L-Tryptophan-1-13C
CAS Number81201-92-5
PubChem CID71309644
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)(113C)propanoic acid
Molecular FormulaC11H12N2O2
Molecular Weight205.22
XLogP-1.1
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity245
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H]([13C](=O)O)N
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i11+1
InChIKey
QIVBCDIJIAJPQS-KYURPWGOSA-N
Chemical Structure
2D Structure
2D structure of L-Tryptophan-1-13C
CAS: 81201-92-5
CID: 71309644
Formula: C11H12N2O2
MW: 205.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.22
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass205.093232465
Monoisotopic Mass205.093232465
Topological Polar Surface Area79.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity245
Isotope Atom Count1
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes