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Home Nitros (R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine

(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine

CAS No.:
74927-72-3
Catalog Number:
AG003C3H
Molecular Formula:
C15H11N3O7
Molecular Weight:
345.2637
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003C3H
Chemical Name:
(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylglycine
CAS Number:
74927-72-3
Molecular Formula:
C15H11N3O7
Molecular Weight:
345.2637
MDL Number:
MFCD00010134
IUPAC Name:
(2R)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid
InChI:
InChI=1S/C15H11N3O7/c19-14(16-13(15(20)21)9-4-2-1-3-5-9)10-6-11(17(22)23)8-12(7-10)18(24)25/h1-8,13H,(H,16,19)(H,20,21)/t13-/m1/s1
InChI Key:
MIVUDAUOXJDARR-CYBMUJFWSA-N
SMILES:
OC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
514  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
345.06g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
345.267g/mol
Monoisotopic Mass:
345.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Solvation of phenylglycine- and leucine-derived chiral stationary phases: molecular dynamics simulation study. The journal of physical chemistry. B 20081016
A screening method for chiral selectors that does not require covalent attachment. Journal of the American Chemical Society 20060222
Capillary electrophoresis with (R)-(--)-N-(3,5-dinitrobenzoyl)-alpha-phenylglycine as chiral selector for separation of albendazole sulfoxide enantiomers and their analysis in human plasma. Journal of pharmaceutical and biomedical analysis 20020115
QSAR of matrix metalloproteinase inhibitor N-[(substituted phenyl)sulfonyl]-N-4-nitrobenzylglycine hydroxamates using LFER model. Drug design and discovery 20010101
Properties