[[5-(6-azanyl-8H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[5-(6-azanyl-8H-purin-9-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[5-(6-amino-8H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate CAS Name: [[5-(6-amino-8H-purin-9-ium-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate IUPAC Name: [[5-(6-amino-8H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate Traditional Name: [[5-(6-amino-8H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate Formula: C10H13N5O10P2-2 MolecularWeight: 425.185242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N=C2C(=NC=NC2=[N+]1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N

Isomeric SMILES

C1N=C2C(=NC=NC2=[N+]1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2,4,6-7,10-11,16-17H,1,3H2,(H3,18,19,20,21,22)/p-2