2-azaniumyl-2-methyl-4-phosphonatobutanoate


Chemical Name: 2-azaniumyl-2-methyl-4-phosphonatobutanoate
CAS Number: 157381-42-5
Product Number: AG001PER(AGN-PC-0JEKKY)
Synonyms:
MDL No: MFCD00672650
Molecular Formula: C5H12NO5P
Molecular Weight: 197.1262

Identification/Properties


Computed Properties
Molecular Weight:
197.127g/mol
XLogP3:
-4.6
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
197.045g/mol
Monoisotopic Mass:
197.045g/mol
Topological Polar Surface Area:
121A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
224
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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