Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4NP

Summary
Name:4-NITROPHENYL PHOSPHATE
Formula:C6 H6 N O6 P
Formal charge:0
Formula weight:219.089 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-nitrophenyl dihydrogen phosphate
OpenEye OEToolkits1.5.0(4-nitrophenyl) dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)O
SMILES_CANONICALCACTVS3.341O[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILESCACTVS3.341O[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O
InChIInChI1.03InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
InChIKeyInChI1.03XZKIHKMTEMTJQX-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon