200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 6758-40-3
6758-40-3 | (S)-2-(4-Nitrobenzamido)pentanedioic acid
CAS No: 6758-40-3 Catalog No: AG003TTJ MDL No:MFCD00007348
Product Description
Catalog Number:
AG003TTJ
Chemical Name:
(S)-2-(4-Nitrobenzamido)pentanedioic acid
CAS Number:
6758-40-3
Molecular Formula:
C12H12N2O7
Molecular Weight:
296.2329
MDL Number:
MFCD00007348
IUPAC Name:
(2S)-2-[(4-nitrobenzoyl)amino]pentanedioic acid
InChI:
InChI=1S/C12H12N2O7/c15-10(16)6-5-9(12(18)19)13-11(17)7-1-3-8(4-2-7)14(20)21/h1-4,9H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/t9-/m0/s1
InChI Key:
NOJZBJAFCSWMKC-VIFPVBQESA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)[N+](=O)[O-]
EC Number:
229-820-9
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.235g/mol
Monoisotopic Mass:
296.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Design, synthesis and biological evaluation of novel nitroaromatic compounds as potent glutathione reductase inhibitors. | Bioorganic & medicinal chemistry letters 20110915 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.