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DNP-L-serine

CAT: 0024-sc-227954Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-227954Size:25 mg
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CAS Number
1655-64-7

Chemical Information

N-(2,4-Dinitrophenyl)-L-serine

N-(2,4-dinitrophenyl)-L-serine is the L-stereoisomer of N-(2,4-dinitrophenyl)serine, an L-serine derivative having a 2,4-dinitrophenyl) substituent on nitrogen. It is a C-nitro compound and a L-serine derivative. It contains a hydroxymethyl group.

CAS Number1655-64-7
PubChem CID96800
IUPAC Name(2S)-2-(2,4-dinitroanilino)-3-hydroxypropanoic acid
Molecular FormulaC9H9N3O7
Molecular Weight271.18
XLogP1.2
Topological Polar Surface Area161
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity364
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CO)C(=O)O
InChI
InChI=1S/C9H9N3O7/c13-4-7(9(14)15)10-6-2-1-5(11(16)17)3-8(6)12(18)19/h1-3,7,10,13H,4H2,(H,14,15)/t7-/m0/s1
InChIKey
SBQZBOCQYMVLTC-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of N-(2,4-Dinitrophenyl)-L-serine
CAS: 1655-64-7
CID: 96800
Formula: C9H9N3O7
MW: 271.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight271.18
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass271.04404963
Monoisotopic Mass271.04404963
Topological Polar Surface Area161 Ų
Heavy Atom Count19
Formal Charge0
Complexity364
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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