[(2R,3S,4R,5R)-5-(6-azanyl-8-azido-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-azanyl-8-azido-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(6-amino-8-azido-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H13N8O7P MolecularWeight: 388.233381

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)CO)OP(=O)(O)O)O)N=[N+]=[N-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C10H13N8O7P/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-5(20)6(3(1-19)24-9)25-26(21,22)23/h2-3,5-6,9,19-20H,1H2,(H2,11,13,14)(H2,21,22,23)/t3-,5-,6-,9-/m1/s1