Molecule ID: 46931113

IUPAC Name: (2S,5R)-2,6-bis(azaniumyl)-5-phosphonatooxyhexanoate

Description: The molecule is conjugate base of erythro-5-phosphonooxy-L-lysine in which the carboxy and phospho groups are anionic and both primary amino groups are cationic; major species at pH 7.3. It is a conjugate base of an erythro-5-phosphonooxy-L-lysine.

SMILES: NC[C@@H](CC[C@H](N)C(=O)[O-])OP(=O)(O)O

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

InChI: InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/p-1/t4-,5+/m1/s1

Molecular Properties:
- Polar Surface Area: 168.0 Ų
- LogP: -7.1