tetraazanium [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methyl-4-phosphonatooxy-oxolan-3-yl] phosphate

Systemtic Name: tetraazanium [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methyl-4-phosphonatooxy-oxolan-3-yl] phosphate Openeye Name: tetraammonium [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methyl-4-phosphonatooxy-tetrahydrofuran-3-yl] phosphate CAS Name: tetraammonium [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methyl-4-phosphonatooxy-3-oxolanyl] phosphate IUPAC Name: tetraazanium [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-methyl-4-phosphonatooxyoxolan-3-yl] phosphate Traditional Name: tetraammonium [(2R,3R,4R,5R)-2-adenin-9-yl-5-methyl-4-phosphato-tetrahydrofuran-3-yl] phosphate Formula: C10H27N9O9P2 MolecularWeight: 479.323802

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)OP(=O)([O-])[O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C10H15N5O9P2.4H3N/c1-4-6(23-25(16,17)18)7(24-26(19,20)21)10(22-4)15-3-14-5-8(11)12-2-13-9(5)15;;;;/h2-4,6-7,10H,1H3,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21);4*1H3/t4-,6-,7-,10-;;;;/m1..../s1