[2-(6-aminopurin-9-yl)-3-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [2-(6-aminopurin-9-yl)-3-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [2-(6-aminopurin-9-yl)-3-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [2-(6-aminopurin-9-yl)-3-hydroxy-5-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [2-(6-aminopurin-9-yl)-3-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [2-adenin-9-yl-3-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H15N5O10P2 MolecularWeight: 427.201122

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1(O)OP(=O)(O)O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)O

Isomeric SMILES

C1C(OC(C1(O)OP(=O)(O)O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)O

InChI

InChI=1S/C10H15N5O10P2/c11-7-6-8(13-3-12-7)15(4-14-6)9-10(16,25-27(20,21)22)1-5(24-9)2-23-26(17,18)19/h3-5,9,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)