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3-Nitro-D-tyrosine

CAT: 0572-TRC-N503883-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N503883-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32988-39-9
Hazard Statement
No Data Available
Smiles
N[C@H](Cc1ccc(O)c(c1)[N+](=O)[O-])C(=O)O
Molecular Formula
C9H10N2O5
Molecular Weight
226.19
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Nitro-D-tyrosine

3-nitro-D-tyrosine is a 3-nitrotyrosine comprising D-tyrosine having a nitro group at the 3-position on the phenyl ring. It is a D-alpha-amino acid, a D-tyrosine derivative and a 3-nitrotyrosine. It is an enantiomer of a 3-nitro-L-tyrosine.

CAS Number32988-39-9
PubChem CID759471
IUPAC Name(2R)-2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid
Molecular FormulaC9H10N2O5
Molecular Weight226.19
XLogP-2
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity278
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)O)N)[N+](=O)[O-])O
InChI
InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m1/s1
InChIKey
FBTSQILOGYXGMD-ZCFIWIBFSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitro-D-tyrosine
CAS: 32988-39-9
CID: 759471
Formula: C9H10N2O5
MW: 226.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.19
XLogP3-2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass226.05897142
Monoisotopic Mass226.05897142
Topological Polar Surface Area129 Ų
Heavy Atom Count16
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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