54041391 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 9 8 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 1 2 2 3 3 4 4 5 5 6 6 7 8 8 8 9 9 9 10 10 11 11 12 12 13 14 14 15 16 16 16 12 13 9 25 11 26 13 27 14 28 15 10 15 24 10 11 17 13 18 12 19 14 20 21 22 23 16 29 30 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 9 3 11 10 17 2 1 10 8 13 9 18 2 1 11 4 9 12 19 1 1 12 2 11 14 20 1 1 13 2 10 5 21 2 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 8.5991 4.269 4.269 2.5369 6.001 2.5369 6.8671 6.001 4.269 5.135 3.403 3.403 5.135 2.5369 6.8671 7.7331 4.8059 5.672 3.403 3.403 5.135 1.9264 2.3249 6.001 3.732 2 6.001 2 7.3346 8.1316 -0.5 1 -2 -1 1 2 0.5 -1 -1 -0.5 -0.5 0.5 0.5 1 -0.5 -1 -1.31 -0.19 -1.12 1.12 1.12 1.1077 0.4174 -1.62 -2.31 -0.69 1.62 2.31 -1.475 -1.475 5 6 6 5 6 9 10 11 12 13 3 8 4 14 5 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 253 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 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0723900000000000000000000000000000000000000240000000000000000000000001F0010080000083CF18007000802C00600080001101000000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-<I>N</I>-[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoranyl-N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H14FNO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6-,7-,8+/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LMPCEKTVFVQIPT-LRLCYJNCSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 239.08051533 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H14FNO6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 239.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C1C(C(C(C(O1)O)NC(=O)CF)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)CF)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 119 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 239.08051533 16 5 5 0 0 0 0 0 1 -1