2-(6-azanylidene-1-methyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; rhodium(2+); tetraethanoate; hydrate

Systemtic Name: 2-(6-azanylidene-1-methyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; rhodium(2+); tetraethanoate; hydrate Openeye Name: 2-(hydroxymethyl)-5-(6-imino-1-methyl-purin-9-yl)tetrahydrofuran-3,4-diol; rhodium(2+); tetraacetate; hydrate CAS Name: 2-(hydroxymethyl)-5-(6-imino-1-methyl-9-purinyl)oxolane-3,4-diol; rhodium(2+); tetraacetate; hydrate IUPAC Name: 2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol; rhodium(2+); tetraacetate; hydrate Traditional Name: 2-(6-imino-1-methyl-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; rhodium(2+); tetraacetate; hydrate Formula: C30H44N10O17Rh2 MolecularWeight: 1022.53816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O.CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O.O.[Rh+2].[Rh+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O.CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O.O.[Rh+2].[Rh+2]

InChI

InChI=1S/2C11H15N5O4.4C2H4O2.H2O.2Rh/c2*1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11;4*1-2(3)4;;;/h2*3-5,7-8,11-12,17-19H,2H2,1H3;4*1H3,(H,3,4);1H2;;/q;;;;;;;2*+2/p-4