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Phosphinothricin

CAT: 0926-FP16278-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FP16278-02Size:25 g
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CAS Number
51276-47-2
Synonyms
2-Amino-4- (hydroxymethylphosphinyl) butyric acid
MDL Number
MFCD00211362
Smiles
CP (=O) (CCC (C (=O) O) N) O
Molecular Formula
C5H12NO4P
Molecular Weight
181.13 g/mol
Controlled
No

Chemical Information

Glufosinate

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid is a non-proteinogenic alpha-amino acid that is 2-aminobutanoic acid which is substituted at position 4 by a hydroxy(methyl)phosphoryl group. It is a member of phosphinic acids and a non-proteinogenic alpha-amino acid.

CAS Number51276-47-2
PubChem CID4794
IUPAC Name2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
Molecular FormulaC5H12NO4P
Molecular Weight181.13
XLogP-5
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity193
SMILES
CP(=O)(CCC(C(=O)O)N)O
InChI
InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)
InChIKey
IAJOBQBIJHVGMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glufosinate
CAS: 51276-47-2
CID: 4794
Formula: C5H12NO4P
MW: 181.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight181.13
XLogP3-5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass181.05039486
Monoisotopic Mass181.05039486
Topological Polar Surface Area101 Ų
Heavy Atom Count11
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes