25245584 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 8 8 8 7 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 1 1 4 1 1 1 2 2 3 3 4 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 15 16 17 19 12 13 11 29 14 31 10 24 25 26 13 15 16 16 17 15 19 18 19 18 33 34 11 12 20 13 21 14 22 23 27 28 17 30 18 32 1 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 10 4 11 12 20 3 1 11 2 13 10 21 2 1 12 1 10 14 22 1 1 13 1 5 11 23 3 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 4.4026 6.7485 3.7066 6.7523 4.6783 4.6783 2.866 2 2.866 5.9422 5.9405 4.9917 4.9889 4.6844 3.732 5.2619 3.732 2.866 2 5.8463 6.4934 4.3795 5.4266 7.2545 6.3887 7.1158 5.2985 4.7071 6.6826 5.8819 3.516 1.4631 2.3291 3.403 1.158 0.0662 3.1272 2.2418 -0.6025 -2.212 -0.4072 -1.9072 -3.4072 1.6554 0.6554 1.966 0.348 2.9176 -0.9072 -1.4072 -1.9072 -2.4072 -0.9072 2.2679 0.9359 2.0641 -0.0911 2.6053 2.744 1.7396 3.0029 3.5372 -0.5503 -1.4072 3.7172 -0.5972 -3.7172 -3.7172 8 8 8 8 8 8 8 8 3 5 6 3 8 8 5 5 6 6 7 7 8 8 10 11 12 13 15 17 15 16 16 17 15 19 18 19 4 2 14 5 17 18 1 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 334 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371C073B0000000000000000000000000000001624000002C000000000000005801F800001E0010080000083CE1970605F0BF4C1600A0010661640080802D1110A00150A028541083580240C8401F44080F1002D30020F030020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]ammonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]ammonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2<I>S</I>,4<I>R</I>)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]azanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]azanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,4R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]azanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(2S,4R)-5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]ammonium InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H14N6O3/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,1,11H2,(H2,12,13,14)/p+1/t4-,5?,7-,10?/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ILDPUOKUEKVHIL-HOGMLXFGSA-O Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.12056336 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H15N6O3+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.26 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)[NH3+])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([C@H](O3)CO)[NH3+])O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 147 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 267.12056336 19 4 2 2 0 0 0 0 1 -1