70256963 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 37 38 39 40 9 8 8 8 8 8 8 8 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 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 9 9 9 10 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 17 18 18 19 20 20 20 13 11 14 12 31 14 32 15 35 16 36 18 40 19 10 19 27 11 12 21 15 22 13 23 14 24 17 16 25 18 26 28 29 30 33 34 20 37 38 39 1 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 1 1 1 1 1 1 1 1 1 1 1 1 10 9 11 12 21 1 1 11 2 15 10 22 2 1 12 3 13 10 23 2 1 13 1 12 14 24 3 1 14 2 4 13 17 1 1 15 5 11 16 25 1 1 16 6 15 18 26 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 37 38 39 40 2.5369 5.135 2.5369 3.769 6.001 6.8671 8.5991 2.5369 4.269 4.269 5.135 3.403 3.403 4.269 6.001 6.8671 4.769 7.7331 3.403 3.403 4.8059 5.8711 3.403 3.403 6.538 6.3301 4.8059 4.232 5.079 5.3059 2 4.079 8.1316 7.3346 6.538 7.404 4.023 3.403 2.783 9.136 -1.5485 -1.0485 0.4515 -2.4145 1.4515 -1.0485 -0.0485 1.4515 1.4515 0.4515 -0.0485 -0.0485 -1.0485 -1.5485 0.4515 -0.0485 -2.4145 0.4515 1.9515 2.9515 0.7615 -0.4735 0.5715 -1.6685 0.7615 -0.3585 1.7615 -2.7245 -2.9515 -2.1045 0.1415 -2.9515 0.9264 0.9264 1.7615 -1.3585 2.9515 3.5715 2.9515 0.2615 5 5 6 3 5 6 5 10 11 12 13 14 15 16 9 22 3 1 4 5 6 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 358 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 00000371E0723900000000000000000000000000000000000000240000000000000000000000001F0010080000083CE18006020802C00600080001101000000000000000000080080000131002008000074000071600970001F0F0A70000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,6R)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,6R)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3-oxanyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[(2<I>R</I>,3<I>R</I>,4<I>R</I>,6<I>R</I>)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1<I>R</I>,2<I>R</I>)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,6R)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,6R)-5-fluoranyl-6-methyl-4,6-bis(oxidanyl)-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,6R)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H20FNO7/c1-4(15)13-6-8(18)10(12)11(2,19)20-9(6)7(17)5(16)3-14/h5-10,14,16-19H,3H2,1-2H3,(H,13,15)/t5-,6-,7-,8-,9-,10?,11-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ACHUAUIEAIXOAO-ZDXPIZBTSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 297.12238014 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H20FNO7 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 297.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C)O)F)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)N[C@@H]1[C@H](C([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C)O)F)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 140 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 297.12238014 20 7 6 1 0 0 0 0 1 -1