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L-Canavanine sulfate

CAT: 0127-BUP16186Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16186Size:25 mg
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CAS Number
2219-31-0
Purity
=95%
Smiles
OS(O)(=O)=O.N[C@@H](CCONC(N)=N)C(O)=O

Chemical Information

L-Canavanine Sulfate

L-canavanine sulfate is an organic sulfate salt obtained by combining L-canavanine with one molar equivalent of sulfuric acid. It has a role as a plant metabolite. It contains a L-canavanine(1+).

CAS Number2219-31-0
PubChem CID11957500
IUPAC Name(2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid;sulfuric acid
Molecular FormulaC5H14N4O7S
Molecular Weight274.26
Topological Polar Surface Area220
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity259
SMILES
C(CON=C(N)N)[C@@H](C(=O)O)N.OS(=O)(=O)O
InChI
InChI=1S/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)/t3-;/m0./s1
InChIKey
MVIPJKVMOKFIEV-DFWYDOINSA-N
Chemical Structure
2D Structure
2D structure of L-Canavanine Sulfate
CAS: 2219-31-0
CID: 11957500
Formula: C5H14N4O7S
MW: 274.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.26
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass274.05831997
Monoisotopic Mass274.05831997
Topological Polar Surface Area220 Ų
Heavy Atom Count17
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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B6402-100L-Canavanine sulfate
HY-B1581A-01L-Canavanine (sulfate)
40300003-1L-Canavanine Sulfate Salt
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