Molecule ID: 7081529

IUPAC Name: [(1S)-1-phosphonatoethyl]azanium

Description: The molecule is an organophosphonate oxoanion that is the conjugate base of (S)-(1-aminoethyl)phosphonic acid, obtained by deprotonation of the phosphonate OH groups and protonation of the amino group. Major microspecies at pH 7.3. It is a conjugate base of a (S)-(1-aminoethyl)phosphonic acid.

SMILES: C[C@@H](N)P(=O)([O-])O

SELFIES: [C][C@@H1][Branch1][C][N][P][=Branch1][C][=O][Branch1][C][O-1][O]

InChI: InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/p-1/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 90.8 Ų
- LogP: -4.5