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205189-34-0

205189-34-0 | 2-Propanone, 1-amino-3-(phosphonooxy)-

CAS No: 205189-34-0 Catalog No: AG0029XI MDL No:MFCD20701515

Product Description

Catalog Number:
AG0029XI
Chemical Name:
2-Propanone, 1-amino-3-(phosphonooxy)-
CAS Number:
205189-34-0
Molecular Formula:
C3H8NO5P
Molecular Weight:
169.0731
MDL Number:
MFCD20701515
IUPAC Name:
(3-amino-2-oxopropyl) dihydrogen phosphate
InChI:
InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)
InChI Key:
HIQNVODXENYOFK-UHFFFAOYSA-N
SMILES:
NCC(=O)COP(=O)(O)O

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.014g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
169.073g/mol
Monoisotopic Mass:
169.014g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5  

Literature

Title Journal
A genomic perspective on the potential of Actinobacillus succinogenes for industrial succinate production. BMC genomics 20100101
Crystal structure of Escherichia coli PdxA, an enzyme involved in the pyridoxal phosphate biosynthesis pathway. The Journal of biological chemistry 20031031
Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis. Journal of molecular biology 20020823

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