70640533 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 9 8 8 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 13 13 14 14 15 16 17 19 12 10 13 11 26 14 28 10 15 16 16 17 15 19 18 19 18 30 31 11 20 12 21 13 22 14 23 24 25 17 27 18 29 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 10 2 5 11 20 3 1 11 3 10 12 21 1 1 12 1 11 13 22 1 1 13 2 12 14 23 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 4.6844 5.9405 3.4026 7.6651 4.6783 4.6783 2.866 2 2.866 4.9889 4.4026 4.9917 5.9422 6.7523 3.732 5.2619 3.732 2.866 2 5.4266 4.122 5.4309 6.4942 7.0999 6.307 3.0935 5.8819 8.1674 1.4631 2.3291 3.403 3.3174 1.0552 1.5596 2.2332 -0.2027 -1.8122 -0.0074 -1.5074 -3.0074 0.7478 1.5578 2.3658 2.0552 2.6416 -0.5074 -1.0074 -1.5074 -2.0074 -0.5074 0.3087 2.1108 2.8035 1.7728 3.155 3.073 2.097 -1.0074 2.5968 -0.1974 -3.3174 -3.3174 8 8 8 8 8 8 8 8 3 6 6 5 8 8 5 5 6 6 7 7 8 8 10 11 12 13 15 17 15 16 16 17 15 19 18 19 5 3 1 14 17 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 338 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C073B1000000000000000000000000000001624000002C000000000000005801F800001F0010080000081CE1970605F0BF4C1600A0010661640080802D1110A001502028541083580240C8401E44080D0002D30020F030020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S,4S,5R)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-3-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S,4S,5R)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-oxolanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3<I>S</I>,4<I>S</I>,5<I>R</I>)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S,4S,5R)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S,4S,5R)-2-(6-aminopurin-9-yl)-4-fluoranyl-5-(hydroxymethyl)oxolan-3-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3S,4S,5R)-2-adenin-9-yl-4-fluoro-5-methylol-tetrahydrofuran-3-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H12FN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10?/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QCDAWXDDXYQEJJ-FWJKGUHCSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -0.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.09241742 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H12FN5O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)F)O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CO)F)O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 119 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 269.09241742 19 4 3 1 0 0 0 0 1 -1