| CID | 24 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 491 |
| pubchem_cactvs_hbond_acceptor | 12 |
| pubchem_cactvs_hbond_donor | 9 |
| pubchem_cactvs_rotatable_bond | 3 |
| pubchem_cactvs_subskeys | AAADceBzvAAAAAAAAAAAAAAAAAAAAAAAAAAsQAAAAAAAAACAAAAAHgAUCAAACDzhgAYBAALQAgAoAAEQNAAAAAEAAAAhAAGIAACDUAoAyCAUQAAHEQKRAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one |
| pubchem_iupac_cas_name | 2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one |
| pubchem_iupac_systematic_name | 2-azanyl-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one |
| pubchem_iupac_traditional_name | 2-amino-5,6,7,8-tetrahydroxy-6-(1,2,3-trihydroxypropyl)-3,4a,7,8a-tetrahydropteridin-4-one |
| pubchem_nist_inchi | InChI=1S/C9H17N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2-5,7,15-17,19-22H,1H2,(H3,10,11,12,18) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 323.107713 |
| pubchem_molecular_formula | C9H17N5O8 |
| pubchem_molecular_weight | 323.25998 |
| pubchem_openeye_can_smiles | C(C(C(C1(C(N(C2C(N1O)C(=O)NC(=N2)N)O)O)O)O)O)O |
| pubchem_openeye_iso_smiles | C(C(C(C1(C(N(C2C(N1O)C(=O)NC(=N2)N)O)O)O)O)O)O |
| pubchem_cactvs_tpsa | 216 |
| pubchem_monoisotopic_weight | 323.107713 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 22 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 6 |
| 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 | 8 |
| pubchem_bondannotations | 14 1 3
15 23 3
16 24 3
17 25 3
18 26 3
19 27 3 |
