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DL-Tryptophan-d8

CAT: 0572-TRC-T947201-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T947201-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1233395-85-1
Synonyms
Tryptophan-α,β,β,2,4,5,6,7-d8 (ACI)
Hazard Statement
No Data Available
Smiles
[2H]c1[nH]c2c([2H])c([2H])c([2H])c([2H])c2c1C([2H])([2H])C([2H])(N)C(=O)O
Molecular Formula
C11 D8 H4 N2 O2
Molecular Weight
212.2745
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)/i1D,2D,3D,4D,5D2,6D,9D
Additionnal Information
IUPAC name: 2-amino-2,3,3-trideuterio-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

DL-Tryptophan-d8
CAS Number1233395-85-1
PubChem CID58478529
IUPAC Name2-amino-2,3,3-trideuterio-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acid
Molecular FormulaC11H12N2O2
Molecular Weight212.27
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
[2H]C1=C(C(=C2C(=C1[2H])C(=C(N2)[2H])C([2H])([2H])C([2H])(C(=O)O)N)[2H])[2H]
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)/i1D,2D,3D,4D,5D2,6D,9D
InChIKey
QIVBCDIJIAJPQS-JLAWCNLZSA-N
Chemical Structure
2D Structure
2D structure of DL-Tryptophan-d8
CAS: 1233395-85-1
CID: 58478529
Formula: C11H12N2O2
MW: 212.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.27
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass212.140091597
Monoisotopic Mass212.140091597
Topological Polar Surface Area79.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity245
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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