sodium; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; dihydrogen phosphate

Systemtic Name: sodium; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; dihydrogen phosphate Openeye Name: sodium; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; dihydrogen phosphate CAS Name: sodium; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; dihydrogen phosphate IUPAC Name: sodium; 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; dihydrogen phosphate Traditional Name: sodium; 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; dihydrogen phosphate Formula: C10H15N5NaO8P MolecularWeight: 387.218331

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.OP(=O)(O)[O-].[Na+]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O.OP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C10H13N5O4.Na.H3O4P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;1-5(2,3)4/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);;(H3,1,2,3,4)/q;+1;/p-1