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3,3'-Selenobisalanine

CAT: 0013-GTR19229919-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229919-01Size:1 mg
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Description
3,3'-Selenobisalanine is a selenium-containing amino acid derivative used as a research chemical. It serves as a precursor or model compound in studies of selenium metabolism, antioxidant mechanisms, and the synthesis of selenoproteins for both in vitro and in vivo biomedical research.
CAS Number
61216-56-6
Product Name Alternative
L-Alanine, 3,3′-selenobis-, dihydrochloride, LAlanine,3,3′selenobis, dihydrochloride, 3,3′-selenobis-L-Alanine 2HCl, 3,3′-selenobis-L-Alanine dihydrochloride
Purity
96.33% (May vary between batches)
Smiles
OC ([C@@H] (N) C[Se]C[C@H] (N) C (O) =O) =O.Cl.Cl
Molecular Formula
C6H14Cl2N2O4Se
Molecular Weight
328.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid;dihydrochloride
CAS Number61216-56-6
PubChem CID171361262
IUPAC Name(2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid;dihydrochloride
Molecular FormulaC6H14Cl2N2O4Se
Molecular Weight328.06
Topological Polar Surface Area127
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity179
SMILES
C([C@@H](C(=O)O)N)[Se]C[C@@H](C(=O)O)N.Cl.Cl
InChI
InChI=1S/C6H12N2O4Se.2ClH/c7-3(5(9)10)1-13-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*1H/t3-,4-;;/m0../s1
InChIKey
JOMYDMZAANXION-RGVONZFCSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-amino-3-[(2R)-2-amino-2-carboxyethyl]selanylpropanoic acid;dihydrochloride
CAS: 61216-56-6
CID: 171361262
Formula: C6H14Cl2N2O4Se
MW: 328.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.06
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass327.94958
Monoisotopic Mass327.94958
Topological Polar Surface Area127 Ų
Heavy Atom Count15
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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