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Se-Methylselenocysteine

CAT: 0607-A4631-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A4631-25Size:25 mg
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CAS Number
26046-90-2
Product Name Alternative
2-amino-3-(methylselanyl)propanoic acid
Sequence
Methylselenocysteine; Se-Methylseleno-L-cysteine
Purity
0.98
Solubility
≥2.14 mg/mL in DMSO with ultrasonic; insoluble in EtOH; ≥19.1 mg/mL in H2O
Smiles
NC(C(O)=O)C[Se]C
Molecular Formula
C4H9NO2Se
Molecular Weight
182.09
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Methylselenocysteine

Se-methyl-L-selenocysteine is an L-alpha-amino acid compound having methylselanylmethyl as the side-chain. It has a role as an antineoplastic agent. It is a non-proteinogenic L-alpha-amino acid, a L-selenocysteine derivative and a Se-methylselenocysteine. It is a conjugate base of a Se-methyl-L-selenocysteinium. It is a conjugate acid of a Se-methyl-L-selenocysteinate. It is an enantiomer of a Se-methyl-D-selenocysteine. It is a tautomer of a Se-methyl-L-selenocysteine zwitterion.

CAS Number26046-90-2
PubChem CID147004
IUPAC Name(2R)-2-amino-3-methylselanylpropanoic acid
Molecular FormulaC4H9NO2Se
Molecular Weight182.09
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity86
SMILES
C[Se]C[C@@H](C(=O)O)N
InChI
InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
XDSSPSLGNGIIHP-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of Methylselenocysteine
CAS: 26046-90-2
CID: 147004
Formula: C4H9NO2Se
MW: 182.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.09
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass182.97985
Monoisotopic Mass182.97985
Topological Polar Surface Area63.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.1
Isotope Atom Count0
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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CatalogName
GTR19167449-01Se-Methylselenocysteine
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