CID | 25 |
pubchem_compound_canonicalized | 1 |
pubchem_cactvs_complexity | 479 |
pubchem_cactvs_hbond_acceptor | 10 |
pubchem_cactvs_hbond_donor | 8 |
pubchem_cactvs_rotatable_bond | 3 |
pubchem_cactvs_subskeys | AAADccBzuAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAACAAAAAHgAUCAAACDzhgAYBAALQAgCoAAVQdACAAAEAAAAhAICIAECDUAIAgCAUQAAPEAKRAEDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
pubchem_iupac_openeye_name | 2-amino-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-1,5,6,7-tetrahydropteridin-4-one |
pubchem_iupac_cas_name | 2-amino-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-1,5,6,7-tetrahydropteridin-4-one |
pubchem_iupac_systematic_name | 2-azanyl-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-1,5,6,7-tetrahydropteridin-4-one |
pubchem_iupac_traditional_name | 2-amino-7,8-dihydroxy-6-(1,2,3-trihydroxypropyl)-1,5,6,7-tetrahydropteridin-4-one |
pubchem_nist_inchi | InChI=1S/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18) |
pubchem_cactvs_xlogp | 0 |
pubchem_exact_mass | 289.102233 |
pubchem_molecular_formula | C9H15N5O6 |
pubchem_molecular_weight | 289.2453 |
pubchem_openeye_can_smiles | C(C(C(C1C(N(C2=C(N1)C(=O)N=C(N2)N)O)O)O)O)O |
pubchem_openeye_iso_smiles | C(C(C(C1C(N(C2=C(N1)C(=O)N=C(N2)N)O)O)O)O)O |
pubchem_cactvs_tpsa | 184 |
pubchem_monoisotopic_weight | 289.102233 |
pubchem_total_charge | 0 |
pubchem_heavy_atom_count | 20 |
pubchem_atom_def_stereo_count | 0 |
pubchem_atom_udef_stereo_count | 4 |
pubchem_bond_def_stereo_count | 0 |
pubchem_bond_udef_stereo_count | 0 |
pubchem_isotopic_atom_count | 0 |
pubchem_component_count | 1 |
pubchem_cactvs_tauto_count | 9 |
pubchem_bondannotations | 13 1 3
10 19 8
10 20 8
16 17 8
16 19 8
14 2 3
15 3 3
12 7 3
9 17 8
9 20 8 |