Molecule ID: 46878474

IUPAC Name: 2-azaniumyl-4,5-dihydroxy-6-oxo-7-phosphonatooxyheptanoate

Description: The molecule is dianion of 2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid having anionic carboxyl and phosphate groups and a protonated amino group. It is a conjugate base of a 2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid.

SMILES: NC(CC(O)C(O)C(=O)COP(=O)([O-])O)C(=O)[O-]

SELFIES: [N][C][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][Branch1][C][O][C][=Branch1][C][=O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C7H14NO9P/c8-3(7(12)13)1-4(9)6(11)5(10)2-17-18(14,15)16/h3-4,6,9,11H,1-2,8H2,(H,12,13)(H2,14,15,16)/p-2

Molecular Properties:
- Polar Surface Area: 198.0 Ų
- LogP: -5.8