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FNP : Summary

Code

FNP

One-letter code

X

Molecule name

{[7-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-PHOSPHONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 [naphthalene-2,7-diylbis(difluoromethanediyl)]bis(phosphonic acid)
OpenEye OEToolkits 1.5.0 [[7-(difluoro-phosphono-methyl)naphthalen-2-yl]-difluoro-methyl]phosphonic acid

Formula

C12 H10 F4 O6 P2

Formal charge

0

Molecular weight

388.145 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC(F)(c1cc2c(cc1)ccc(c2)C(F)(F)P(=O)(O)O)P(=O)(O)O
SMILES CACTVS 3.341 O[P](O)(=O)C(F)(F)c1ccc2ccc(cc2c1)C(F)(F)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O
Canonical SMILES CACTVS 3.341 O[P](O)(=O)C(F)(F)c1ccc2ccc(cc2c1)C(F)(F)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O

IUPAC InChI

InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)

IUPAC InChI key

VHKBLEYUHBIBNR-UHFFFAOYSA-N
FNP

wwPDB Information

Atom count

34 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-11-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned