[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phenyl hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phenyl hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phenyl hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] phenyl hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phenyl hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] phenyl hydrogen phosphate Formula: C16H18N5O7P MolecularWeight: 423.317181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(O)OC2C(OC(C2O)N3C=NC4=C3N=CN=C4N)CO

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C3N=CN=C4N)CO

InChI

InChI=1S/C16H18N5O7P/c17-14-11-15(19-7-18-14)21(8-20-11)16-12(23)13(10(6-22)26-16)28-29(24,25)27-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,24,25)(H2,17,18,19)/t10-,12-,13-,16-/m1/s1