C8 H14 N O6 P2
C6J
2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-(2,2-diphosphonoethyl)-1-methylpyridin-1-ium
Formula
Standard InChI
InChI=1S/C8H13NO6P2/c1-9-5-3-2-4-7(9)6-8(16(10,11)12)17(13,14)15/h2-5,8H,6H2,1H3,(H3-,10,11,12,13,14,15)/p+1
Standard InChI Key
DNSXFQJOCNECTD-UHFFFAOYSA-O
SMILES
C[n+]1ccccc1CC(P(=O)(O)O)P(=O)(O)O
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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