153 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 15 8 8 8 8 8 8 8 7 7 7 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 5 6 7 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 16 16 17 18 19 5 6 7 8 14 15 12 26 13 27 16 32 33 15 17 18 18 19 17 30 31 13 14 20 15 21 16 22 23 24 25 19 28 29 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 12 3 13 14 20 3 1 13 4 12 15 21 3 1 14 2 12 16 22 3 1 15 2 9 13 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 6.8909 5.0298 3.133 2.4608 6.3031 7.4787 7.6999 6.0819 4.2208 3.7208 5.9809 3.7208 3.4118 4.7208 4.2208 5.3086 5.0298 3.4118 4.7208 3.1085 3.3148 5.3332 3.6684 4.7514 5.4795 3.3852 2 2.8222 5.0852 6.4416 6.1098 8.0953 8.2663 -2.3911 0.0735 -1.6866 0.3825 -1.5821 -3.2001 -1.8033 -2.9789 1.6613 3.2001 1.94 -0.8776 0.0735 -0.8776 0.6613 -1.6866 2.249 2.249 3.2001 -0.7806 0.6858 -0.7806 0.9427 -1.9584 -2.2826 -2.253 -0.0324 2.0575 3.7017 2.3549 1.3336 -3.1353 -2.0555 8 8 8 8 3 3 3 3 8 9 9 10 10 12 13 14 15 17 17 18 18 19 3 4 16 9 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 366 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733802000000000000000000000000000162400000000000000000000000018000001E00100820000814E182062DB0174C1710A0401227648000802D1112A00140001830008358020088001E40000F1002930020F030020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [5-(5-aminoimidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [5-(5-amino-1-imidazolyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [5-(5-aminoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [5-(5-aminoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [5-(5-azanylimidazol-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [5-(5-aminoimidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PDACUKOKVHBVHJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.05693679 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H14N3O7P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.19 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C(N(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C(N(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 160 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.05693679 19 4 0 4 0 0 0 0 1 -1