Molecule ID: 135873310

IUPAC Name: 5-amino-14-oxido-7,14-dioxo-13,15,18-trioxa-2,4,6,9-tetraza-14lambda5-phosphatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4,11-trien-11-olate

Description: The molecule is the dianion resulting from deprotonation of the phosphate group as well as removal of the acidic proton from the carbon adjacent to the 2-oxo group of precursor Z. It is a conjugate base of a precursor Z(1-).

SMILES: N=c1nc([O-])c2c([nH]1)NC1OC3COP(=O)(O)OC3=C([O-])C1N2

SELFIES: [N][=C][N][=C][Branch1][C][O-1][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][N][C][O][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Ring1][Branch2][=C][Branch1][C][O-1][C][Ring1][=N][N][Ring2][Ring1][C]

InChI: InChI=1S/C10H12N5O7P/c11-10-14-7-4(8(17)15-10)12-3-5(16)6-2(21-9(3)13-7)1-20-23(18,19)22-6/h2-3,9,12,16H,1H2,(H,18,19)(H4,11,13,14,15,17)/p-2

Molecular Properties:
- Polar Surface Area: 182.0 Ų
- LogP: -2.5