disodium (3R)-1-(6-azanylpurin-1-yl)-4-oxidanyl-3-(phosphonatomethoxy)butan-1-one

Systemtic Name: disodium (3R)-1-(6-azanylpurin-1-yl)-4-oxidanyl-3-(phosphonatomethoxy)butan-1-one Openeye Name: disodium (3R)-1-(6-aminopurin-1-yl)-4-hydroxy-3-(phosphonatomethoxy)butan-1-one CAS Name: disodium (3R)-1-(6-amino-1-purinyl)-4-hydroxy-3-(phosphonatomethoxy)-1-butanone IUPAC Name: disodium (3R)-1-(6-aminopurin-1-yl)-4-hydroxy-3-(phosphonatomethoxy)butan-1-one Traditional Name: disodium (3R)-1-(6-aminopurin-1-yl)-4-hydroxy-3-(phosphonatomethoxy)butan-1-one Formula: C10H12N5Na2O6P MolecularWeight: 375.185481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N(C=NC2=N1)C(=O)CC(CO)OCP(=O)([O-])[O-])N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N(C=NC2=N1)C(=O)C[C@H](CO)OCP(=O)([O-])[O-])N.[Na+].[Na+]

InChI

InChI=1S/C10H14N5O6P.2Na/c11-9-8-10(13-3-12-8)14-4-15(9)7(17)1-6(2-16)21-5-22(18,19)20;;/h3-4,6,16H,1-2,5,11H2,(H2,18,19,20);;/q;2*+1/p-2/t6-;;/m1../s1