2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol hydrate

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol hydrate Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol hydrate CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol hydrate IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol hydrate Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol hydrate Formula: C20H28N10O9 MolecularWeight: 552.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.O

InChI

InChI=1S/2C10H13N5O4.H2O/c2*11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;/h2*2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1H2