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

Systemtic Name: disodium (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(2-phosphonatoethoxy)oxolan-3-ol Openeye Name: disodium (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(2-phosphonatoethoxy)tetrahydrofuran-3-ol CAS Name: disodium (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(2-phosphonatoethoxy)-3-oxolanol IUPAC Name: disodium (2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(2-phosphonatoethoxy)oxolan-3-ol Traditional Name: disodium (2R,3R,4S)-2-adenin-9-yl-4-(2-phosphonatoethoxy)tetrahydrofuran-3-ol Formula: C11H14N5Na2O6P MolecularWeight: 389.212061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N5O6P.2Na/c12-9-7-10(14-4-13-9)16(5-15-7)11-8(17)6(3-22-11)21-1-2-23(18,19)20;;/h4-6,8,11,17H,1-3H2,(H2,12,13,14)(H2,18,19,20);;/q;2*+1/p-2/t6-,8+,11+;;/m0../s1