tetrasodium [[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl]oxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: tetrasodium [[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-oxolan-3-yl]oxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: tetrasodium [[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-yl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: tetrasodium [[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-3-oxolanyl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: tetrasodium [[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-yl]oxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: tetrasodium [[[(2R,3S,5R)-5-adenin-9-yl-2-methyl-tetrahydrofuran-3-yl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C10H12N5Na4O11P3 MolecularWeight: 563.109543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N5O11P3.4Na/c1-5-6(24-28(19,20)26-29(21,22)25-27(16,17)18)2-7(23-5)15-4-14-8-9(11)12-3-13-10(8)15;;;;/h3-7H,2H2,1H3,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18);;;;/q;4*+1/p-4/t5-,6+,7-;;;;/m1..../s1