Molecule ID: 74545633

IUPAC Name: (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate

Description: The molecule is a zwitterion resulting from a transfer of a proton from the phosphonate to the amino group of (2-amino-1-hydroxyethyl)phosphonate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a tautomer of a 1-hydroxy-2-aminoethylphosphonic acid.

SMILES: NCC(O)P(=O)(O)O

SELFIES: [N][C][C][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C2H8NO4P/c3-1-2(4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7)

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: -5.4