disodium [[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: disodium [[[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: disodium [[[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: disodium [[[5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: disodium [[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: disodium [[(5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C10H14N5Na2O12P3 MolecularWeight: 535.145283

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C10H16N5O12P3.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2