phosphoethanolamine   

GtoPdb Ligand ID: 6628

Synonyms: 2-ammonioethyl phosphate | O-phosphonatoethanaminium
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 109.87
Molecular weight 140.01
XLogP -1.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [NH3+]CCOP(=O)([O-])[O-]
Isomeric SMILES [NH3+]CCOP(=O)([O-])[O-]
InChI InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)/p-1
InChI Key SUHOOTKUPISOBE-UHFFFAOYSA-M
Classification
Compound class Synthetic organic
IUPAC Name
2-azaniumylethyl phosphate
Synonyms
2-ammonioethyl phosphate | O-phosphonatoethanaminium
Database Links
GtoPdb PubChem SID 178103241
PubChem CID 7059434
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