3,5-Dinitro-L-tyrosine

C9H9N3O7CAS 17360-11-1271.18 g/mol

Open in Covalent MOL file
H2NN+OO−OHN+OO−OOH
Carboxylic acidNitroPhenolPrimary amine

Properties

Molecular formula
C9H9N3O7
Molar mass
271.18 g/mol
Exact mass
271.0440 Da
Melting point
230–232 °C (decomposes)
logP
0.16Crippen estimate
Polar surface area
169.8 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Danger
Corrosive (GHS05)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P501

Identifiers

CAS number
17360-11-1
SMILES
N[C@@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O
InChIKey
SAZOSDSFLRXREA-YFKPBYRVSA-N
InChI
InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • L-Tyrosine, 3,5-dinitro-
  • Tyrosine, 3,5-dinitro-, L-
  • NSC 80662
  • (2S)-2-Azaniumyl-3-(4-hydroxy-3,5-dinitrophenyl)propanoate
  • (S)-2-Amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoicacid

Work with 3,5-Dinitro-L-tyrosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nitrotyrosine621-44-371 % similar 4-Nitro-DL-phenylalanine2922-40-964 % similar p-Nitro-D-phenylalanine56613-61-764 % similar P-Nitrophenylalanine949-99-564 % similar N-Acetyl-3,5-dinitro-L-tyrosine20767-00-462 % similar D-3-Nitrophenylalanine169530-97-662 % similar 3-Nitro-L-phenylalanine19883-74-062 % similar D-2-Nitrophenylalanine169383-17-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(2,4-Dinitrophenyl)-L-serine1655-64-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook