disodium (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(phosphonatomethoxy)oxolan-3-ol

Systemtic Name: disodium (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(phosphonatomethoxy)oxolan-3-ol Openeye Name: disodium (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(phosphonatomethoxy)tetrahydrofuran-3-ol CAS Name: disodium (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(phosphonatomethoxy)-3-oxolanol IUPAC Name: disodium (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(phosphonatomethoxy)oxolan-3-ol Traditional Name: disodium (2R,3R,4S)-2-adenin-9-yl-4-(phosphonatomethoxy)tetrahydrofuran-3-ol Formula: C10H12N5Na2O6P MolecularWeight: 375.185481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OCP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OCP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C10H14N5O6P.2Na/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19;;/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,7+,10+;;/m0../s1