[1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-(furan-2-yl)ethyl] dihydrogen phosphate

Systemtic Name: [1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-(furan-2-yl)ethyl] dihydrogen phosphate Openeye Name: [1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-(2-furyl)ethyl] dihydrogen phosphate CAS Name: [1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-2-(2-furanyl)ethyl] dihydrogen phosphate IUPAC Name: [1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-(furan-2-yl)ethyl] dihydrogen phosphate Traditional Name: [1-[(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-(2-furyl)ethyl] dihydrogen phosphate Formula: C15H18N5O8P MolecularWeight: 427.305881

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CC(C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)OP(=O)(O)O

Isomeric SMILES

C1=COC(=C1)CC([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)OP(=O)(O)O

InChI

InChI=1S/C15H18N5O8P/c16-13-9-14(18-5-17-13)20(6-19-9)15-11(22)10(21)12(27-15)8(28-29(23,24)25)4-7-2-1-3-26-7/h1-3,5-6,8,10-12,15,21-22H,4H2,(H2,16,17,18)(H2,23,24,25)/t8?,10-,11+,12+,15+/m0/s1