Molecule ID: 91819954

IUPAC Name: [5-(aminomethyl)furan-3-yl]methyl phosphono hydrogen phosphate

Description: The molecule is a member of the class of furans that is 2-furylmethylamine substituted at position 4 by a diphosphooxymethyl group. It has a role as a bacterial metabolite. It is a member of furans, an organic diphosphate and a primary amino compound. It is a conjugate acid of a [5-(ammoniomethyl)-3-furyl]methyl diphosphate(2-).

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][O][=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)

Molecular Properties:
- Polar Surface Area: 152.0 Ų
- LogP: -5.5