| CID | 73 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 632 |
| pubchem_cactvs_hbond_acceptor | 14 |
| pubchem_cactvs_hbond_donor | 6 |
| pubchem_cactvs_rotatable_bond | 6 |
| pubchem_cactvs_subskeys | AAADccBzvAMAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | [5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate |
| pubchem_iupac_cas_name | [5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate |
| pubchem_iupac_systematic_name | [5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate |
| pubchem_iupac_traditional_name | [5-adenin-9-yl-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate |
| pubchem_nist_inchi | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 427.029415 |
| pubchem_molecular_formula | C10H15N5O10P2 |
| pubchem_molecular_weight | 427.201122 |
| pubchem_openeye_can_smiles | C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O |
| pubchem_openeye_iso_smiles | C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O |
| pubchem_cactvs_tpsa | 233 |
| pubchem_monoisotopic_weight | 427.029415 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 27 |
| 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 | 3 |
| pubchem_bondannotations | 13 23 8
13 24 8
14 24 8
14 25 8
15 23 8
15 27 8
16 26 8
16 27 8
18 28 3
19 29 3
20 30 3
21 31 3
23 25 8
25 26 8 |
