Molecule ID: 44140568

IUPAC Name: 2-amino-4,5-dihydroxy-6-oxo-7-phosphonooxyheptanoic acid

Description: The molecule is a heptanoic acid having an amino-substituent at the 2-position, hydroxy-substituents at the 4- and 5-positions, an oxo-substituent at the 6-position and a phosphonooxy-substituent at the 7-position. It is an oxo monocarboxylic acid and a monoalkyl phosphate. It derives from a heptanoic acid. It is a conjugate acid of a 2-azaniumyl-4,5-dihydroxy-6-oxo-7-(phosphonatooxy)heptanoate(2-).

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][O][C][=Branch1][C][=O][O]

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)

Molecular Properties:
- Polar Surface Area: 188.0 Ų
- LogP: -6.3