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Home > Nitro Compounds > 502481-30-3
502481-30-3 | 3,5-DINITRO-L-TYROSINE SODIUM SALT
CAS No: 502481-30-3 Catalog No: AG003IPH MDL No:
Product Description
Catalog Number:
AG003IPH
Chemical Name:
3,5-DINITRO-L-TYROSINE SODIUM SALT
CAS Number:
502481-30-3
Molecular Formula:
C9H8N3NaO7
Molecular Weight:
293.1655
IUPAC Name:
sodium;(2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoate
InChI:
InChI=1S/C9H9N3O7.Na/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);/q;+1/p-1/t5-;/m0./s1
InChI Key:
SDPPRYPYKFDRGM-JEDNCBNOSA-M
SMILES:
[O-]C(=O)[C@H](Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)N.[Na+]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.167g/mol
Monoisotopic Mass:
293.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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