67881969 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 9 9 8 8 8 8 8 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 6 6 7 8 8 8 9 9 9 10 10 11 11 12 12 13 14 14 15 16 16 16 10 5 12 13 11 25 13 14 26 15 9 15 24 10 13 17 11 18 12 19 14 20 21 22 23 16 27 28 29 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 8 10 13 17 1 1 10 1 11 9 18 2 1 11 4 10 12 19 1 1 12 3 11 14 20 1 1 13 3 5 9 21 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 4.269 6.001 4.269 2.5369 6.001 2.5369 6.8671 6.001 5.135 4.269 3.403 3.403 5.135 2.5369 6.8671 7.7331 5.672 4.8059 3.403 3.403 5.135 1.9264 2.3249 6.001 2 2 7.4231 8.27 8.0431 -2.155 1.845 0.845 -1.155 0.845 1.845 0.345 -1.155 -0.655 -1.155 -0.655 0.345 0.345 0.845 -0.655 -1.155 -0.345 -1.465 -1.275 0.965 0.965 0.9527 0.2624 -1.775 -0.845 2.155 -1.6919 -1.465 -0.6181 5 5 6 5 3 9 10 11 12 13 8 1 4 14 5 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 255 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0723980000000000000000000000000000000000000240000000000000000000000001F0010080000083CF18007020802C00600080001101000000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(3R,4R,5R,6R)-3-acetamido-4-fluoro-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hypofluorite IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 hypofluorous acid [(3R,4R,5R,6R)-3-acetamido-4-fluoro-5-hydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>R</I>)-3-acetamido-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl] hypofluorite IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(3R,4R,5R,6R)-3-acetamido-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl] hypofluorite IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(3R,4R,5R,6R)-3-acetamido-4-fluoranyl-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl] hypofluorite IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 hypofluorous acid [(3R,4R,5R,6R)-3-acetamido-4-fluoro-5-hydroxy-6-methylol-tetrahydropyran-2-yl] ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H13F2NO5/c1-3(13)11-6-5(9)7(14)4(2-12)15-8(6)16-10/h4-8,12,14H,2H2,1H3,(H,11,13)/t4-,5-,6+,7-,8?/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IVUIHKRIXGHXEH-KEWYIRBNSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.07617884 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H13F2NO5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.19 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1C(C(C(OC1OF)CO)O)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1OF)CO)O)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 88 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.07617884 16 5 4 1 0 0 0 0 1 -1