Formula |
C9H10N2O5 |
IUPAC Name |
(2s)-2-azaniumyl-3-(4-hydroxy-3-nitro-phenyl)propanoate |
Molecular Mass |
226.186 g·mol−1 |
Heat of Formation |
-491.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.14 ± 1.08 D |
Volume |
251.77 Å 3 |
Surface Area |
229.04 Å 2 |
HOMO Energy |
-9.87 ± 0.55 eV |
LUMO Energy |
-1.22 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (2s)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoic acid
- (2s)-2-amino-3-(4-hydroxy-3-nitro-phenyl)propionic acid
- (2s)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid
- 3-mononitrotyrosine
- 3-nitrotyrosine
- tyrosine, 3-nitro-
- tyrosine, 3-nitro-, l- (8ci)
|
CAS Number(s) |
|
InChIKey |
FBTSQILOGYXGMD-LURJTMIESA-N |
QR Code |
Generate QR Code |
Links |
PubChem
Wikipedia
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|