70640589 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 32 33 34 35 36 8 8 8 7 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 13 13 14 14 15 16 17 18 18 18 20 12 13 11 18 14 33 12 15 16 10 27 28 16 17 15 20 19 20 19 35 36 11 13 22 12 21 23 14 24 25 26 17 29 19 30 31 32 34 1 1 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 1 1 1 10 5 11 13 22 1 1 11 2 12 10 21 2 1 12 1 4 11 23 3 1 13 1 10 14 24 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 32 33 34 35 36 5.9405 3.4026 7.6651 4.6783 4.6844 4.6783 2.866 2 2.866 4.9917 4.4026 4.9889 5.9422 6.7523 3.732 5.2619 3.732 2.904 2.866 2 4.122 5.4309 5.4266 6.4942 7.0999 6.307 5.1 4.0781 5.8819 3.4415 2.595 2.3666 8.1674 1.4631 2.3291 3.403 0.8252 1.3296 2.0032 -0.4327 3.0874 -2.0422 -0.2375 -1.7374 -3.2374 2.1358 1.3278 0.5178 1.8252 2.4116 -0.7375 -1.2374 -1.7374 2.1964 -2.2374 -0.7375 1.8807 2.5735 0.0786 1.5427 2.925 2.843 3.5474 3.2174 -1.2374 2.5055 2.7339 1.8874 2.3668 -0.4275 -3.5474 -3.5474 8 8 8 8 8 8 8 8 6 6 3 5 8 8 4 4 6 6 7 7 8 8 10 11 12 13 15 17 15 16 16 17 15 20 19 20 5 2 4 14 17 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 348 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E073B0000000000000000000000000000001624000002C000000000000005801F800001E0010080000083CE1970607F0BF4C1600A0010661640080802D1110A00150A028541083580240C8401F44080F1002D30020F030020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,3R,4R)-3-amino-5-(6-aminopurin-9-yl)-4-methoxy-tetrahydrofuran-2-yl]methanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,3R,4R)-3-amino-5-(6-aminopurin-9-yl)-4-methoxy-2-oxolanyl]methanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2<I>S</I>,3<I>R</I>,4<I>R</I>)-3-amino-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,3R,4R)-3-amino-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,3R,4R)-5-(6-aminopurin-9-yl)-3-azanyl-4-methoxy-oxolan-2-yl]methanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,3R,4R)-5-adenin-9-yl-3-amino-4-methoxy-tetrahydrofuran-2-yl]methanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H16N6O3/c1-19-8-6(12)5(2-18)20-11(8)17-4-16-7-9(13)14-3-15-10(7)17/h3-6,8,11,18H,2,12H2,1H3,(H2,13,14,15)/t5-,6-,8-,11?/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VIEMRHCKBJXZFL-BNUQLRHWSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -0.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 280.12838839 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H16N6O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 280.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CO[C@@H]1[C@@H]([C@H](OC1N2C=NC3=C(N=CN=C32)N)CO)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 134 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 280.12838839 20 4 3 1 0 0 0 0 1 -1