[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate Openeye Name: [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate CAS Name: [5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate IUPAC Name: [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Traditional Name: (5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl) [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Formula: C9H14N5O12P3 MolecularWeight: 477.155043

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C9H14N5O12P3/c10-7-6-8(12-2-11-7)14(3-13-6)5-1-4(15)9(23-5)24-28(19,20)26-29(21,22)25-27(16,17)18/h2-5,9,15H,1H2,(H,19,20)(H,21,22)(H2,10,11,12)(H2,16,17,18)