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

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; butanedioic acid; hydrate Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; succinic acid; hydrate CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; butanedioic acid; hydrate IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; butanedioic acid; hydrate Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; succinic acid; hydrate Formula: C14H21N5O9 MolecularWeight: 403.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O4.C4H6O4.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;5-3(6)1-2-4(7)8;/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1-2H2,(H,5,6)(H,7,8);1H2