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

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-phosphonato-oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-phosphonato-tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-phosphonatooxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-phosphonatooxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-methylol-2-phosphonato-tetrahydrofuran-3,4-diol Formula: C10H12N5O7P-2 MolecularWeight: 345.205341

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3(C(C(C(O3)CO)O)O)P(=O)([O-])[O-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3(C(C(C(O3)CO)O)O)P(=O)([O-])[O-]

InChI

InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10(23(19,20)21)7(18)6(17)4(1-16)22-10/h2-4,6-7,16-18H,1H2,(H2,11,12,13)(H2,19,20,21)/p-2