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5-Hydroxy L-Tryptophan-d4 (Major)

CAT: 0572-TRC-H975712-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H975712-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246818-91-6
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1[nH]c2c([2H])c([2H])c(O)c([2H])c2c1C[C@H](N)C(=O)O
Molecular Formula
C11H8D4N2O3
Molecular Weight
224.25
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Hydroxy L-Tryptophan-d4 (Major)

See also: Oxitriptan (annotation moved to); (+-)-5-Hydroxytryptophan (annotation moved to).

CAS Number1246818-91-6
PubChem CID71749398
IUPAC Name(2S)-2-amino-3-(2,4,6,7-tetradeuterio-5-hydroxy-1H-indol-3-yl)propanoic acid
Molecular FormulaC11H12N2O3
Molecular Weight224.25
XLogP-1.2
Topological Polar Surface Area99.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity272
SMILES
[2H]C1=C(C(=C(C2=C1NC(=C2C[C@@H](C(=O)O)N)[2H])[2H])O)[2H]
InChI
InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1/i1D,2D,4D,5D
InChIKey
LDCYZAJDBXYCGN-RUTJMMHGSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy L-Tryptophan-d4 (Major)
CAS: 1246818-91-6
CID: 71749398
Formula: C11H12N2O3
MW: 224.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.25
XLogP3-1.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass224.10989923
Monoisotopic Mass224.10989923
Topological Polar Surface Area99.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity272
Isotope Atom Count4
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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