Molecule ID: 91819953

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

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

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

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

InChI: InChI=1S/C6H11NO8P2/c7-2-6-1-5(3-13-6)4-14-17(11,12)15-16(8,9)10/h1,3H,2,4,7H2,(H,11,12)(H2,8,9,10)/p-2

Molecular Properties:
- Polar Surface Area: 163.0 Ų
- LogP: -5.7