70640625 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 8 8 8 8 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 2 2 3 3 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 12 12 13 13 14 14 15 16 17 18 18 18 20 11 13 10 18 12 27 14 32 11 15 16 16 17 15 20 19 20 19 34 35 11 12 21 22 13 23 14 24 25 26 17 28 19 29 30 31 33 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 2 11 12 21 1 1 11 1 5 10 22 3 1 12 3 10 13 23 1 1 13 1 12 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 5.9405 3.4026 4.6844 7.6651 4.6783 4.6783 2.866 2 2.866 4.4026 4.9889 4.9917 5.9422 6.7523 3.732 5.2619 3.732 2.904 2.866 2 4.122 5.4266 5.4309 6.4942 7.0999 6.307 5.1 5.8819 3.4415 2.595 2.3666 8.1674 1.4631 2.3291 3.403 0.8252 1.3296 3.0874 2.0032 -0.4327 -2.0422 -0.2375 -1.7374 -3.2374 1.3278 0.5178 2.1358 1.8252 2.4116 -0.7375 -1.2374 -1.7374 2.1964 -2.2374 -0.7375 1.8807 0.0786 2.5735 1.5427 2.925 2.843 3.5474 -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 3 6 5 8 8 5 5 6 6 7 7 8 8 10 11 12 13 15 17 15 16 16 17 15 20 19 20 2 5 3 14 17 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 349 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 00000371C073B8000000000000000000000000000001624000002C000000000000005801F800001E0010080000081CE1970607F0BF4C1600A0010661640080802D1110A001502028541083580240C8401F44080F0002D30020F030020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R,3R,4R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R,3R,4R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-3-oxolanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2<I>R</I>,3<I>R</I>,4<I>R</I>)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R,3R,4R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R,3R,4R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-oxolan-3-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2R,3R,4R)-5-adenin-9-yl-4-methoxy-2-methylol-tetrahydrofuran-3-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11?/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FPUGCISOLXNPPC-YNJARDAQSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 281.11240398 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H15N5O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 281.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O 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)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 129 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 281.11240398 20 4 3 1 0 0 0 0 1 -1