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L-Selenocystine

CAT: 0127-BUP14747-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14747-01Size:50 mg
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CAS Number
29621-88-3
Synonyms
L-Selenocystine
Purity
=98%
Smiles
[C@H](C[Se][Se]C[C@@H](C(O)=O)N)(C(O)=O)N

Chemical Information

Selenocystine

RN given refers to parent cpd; structure

CAS Number29621-88-3
PubChem CID207306
IUPAC Name(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]diselanyl]propanoic acid
Molecular FormulaC6H12N2O4Se2
Molecular Weight334.11
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity192
SMILES
C([C@@H](C(=O)O)N)[Se][Se]C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChIKey
JULROCUWKLNBSN-IMJSIDKUSA-N
Chemical Structure
2D Structure
2D structure of Selenocystine
CAS: 29621-88-3
CID: 207306
Formula: C6H12N2O4Se2
MW: 334.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight334.11
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass335.91275
Monoisotopic Mass335.91275
Topological Polar Surface Area127 Ų
Heavy Atom Count14
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes