L690330   

GtoPdb Ligand ID: 5208

Synonyms: L 690330 | L-690,330 | L-690330
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 164.14
Molecular weight 298
XLogP -1.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1ccc(cc1)OC(P(=O)(O)O)(P(=O)(O)O)C
Isomeric SMILES Oc1ccc(cc1)OC(P(=O)(O)O)(P(=O)(O)O)C
InChI InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
InChI Key JKOCAAWWDVHWKB-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid
Synonyms
L 690330 | L-690,330 | L-690330
Database Links
CAS Registry No. 142523-38-4
ChEMBL Ligand CHEMBL34819
GtoPdb PubChem SID 178101894
PubChem CID 132449
RCSB PDB Ligand L69
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Tocris
L-690,330
Cat. No. 0681