54345675 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 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 7 7 7 8 8 8 9 9 10 10 11 11 12 13 13 14 15 15 15 9 11 12 10 24 12 25 13 26 14 8 14 23 9 12 16 10 17 11 18 13 19 20 21 22 15 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 8 7 9 12 16 1 1 9 1 10 8 17 2 1 10 3 9 11 18 1 1 11 2 10 13 19 1 1 12 2 4 8 20 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 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 6.001 2 7.4231 8.27 8.0431 -2.155 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 1.465 2.155 -1.6919 -1.465 -0.6181 5 5 6 5 3 8 9 10 11 12 7 1 3 13 4 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 239 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371C0723900000000000000000000000000000000000000240000000000000000000000001F0010080000083CF18007020802C00600080001101000000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5R,6R)-4-fluoro-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5R,6R)-4-fluoro-2,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[(3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>R</I>)-4-fluoro-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5R,6R)-4-fluoro-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5R,6R)-4-fluoranyl-6-(hydroxymethyl)-2,5-bis(oxidanyl)oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5R,6R)-4-fluoro-2,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H14FNO5/c1-3(12)10-6-5(9)7(13)4(2-11)15-8(6)14/h4-8,11,13-14H,2H2,1H3,(H,10,12)/t4-,5-,6+,7-,8?/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UCDQAXYQHZEAED-KEWYIRBNSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 223.08560071 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H14FNO5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 223.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1C(C(C(OC1O)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](OC1O)CO)O)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 99 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 223.08560071 15 5 4 1 0 0 0 0 1 -1