bis[[(2R,3S,4S,5S)-5-(6-azanyl-2-fluoranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl] hydrogen phosphate

Systemtic Name: bis[[(2R,3S,4S,5S)-5-(6-azanyl-2-fluoranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl] hydrogen phosphate Openeye Name: bis[[(2R,3S,4S,5S)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] hydrogen phosphate CAS Name: bis[[(2R,3S,4S,5S)-5-(6-amino-2-fluoro-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methyl] hydrogen phosphate IUPAC Name: bis[[(2R,3S,4S,5S)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl] hydrogen phosphate Traditional Name: bis[[(2R,3S,4S,5S)-5-(6-amino-2-fluoro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] hydrogen phosphate Formula: C20H23F2N10O10P MolecularWeight: 632.428187

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=C(N=C6N)F)O)O)O)O)N=C(N=C2N)F

Isomeric SMILES

C1=NC2=C(N1[C@@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OC[C@@H]4[C@H]([C@@H]([C@H](O4)N5C=NC6=C5N=C(N=C6N)F)O)O)O)O)N=C(N=C2N)F

InChI

InChI=1S/C20H23F2N10O10P/c21-19-27-13(23)7-15(29-19)31(3-25-7)17-11(35)9(33)5(41-17)1-39-43(37,38)40-2-6-10(34)12(36)18(42-6)32-4-26-8-14(24)28-20(22)30-16(8)32/h3-6,9-12,17-18,33-36H,1-2H2,(H,37,38)(H2,23,27,29)(H2,24,28,30)/t5-,6-,9-,10-,11+,12+,17+,18+/m1/s1