Molecule ID: 25200570

IUPAC Name: [5-(azaniumylmethyl)furan-3-yl]methyl phosphate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of [5-(aminomethyl)-3-furyl]methyl phosphate; major species at pH 7.3. It is a conjugate base of a [5-(aminomethyl)-3-furyl]methyl phosphate.

SMILES: NCc1cc(COP(=O)([O-])O)co1

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

InChI: InChI=1S/C6H10NO5P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1,3H,2,4,7H2,(H2,8,9,10)/p-1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -4.5