71148130 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 8 8 8 8 8 8 7 7 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 1 2 2 3 3 4 4 5 5 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 14 14 15 15 15 16 17 17 18 18 18 12 13 13 15 10 27 11 28 14 31 16 9 16 26 17 37 38 10 13 19 11 20 12 21 14 22 23 24 25 17 29 30 18 32 33 34 35 36 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 1 9 7 10 13 19 1 1 10 3 9 11 20 1 1 11 4 10 12 21 3 1 12 1 11 14 22 3 1 13 1 9 2 23 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 31 32 33 34 35 36 37 38 4.269 6.001 4.269 2.5369 2.5369 6.8671 6.001 6.8671 5.135 4.269 3.403 3.403 5.135 2.5369 6.001 6.8671 6.8671 7.7331 5.672 4.8059 3.403 3.403 5.135 1.9264 2.3249 6.001 3.732 2 5.789 5.3905 2 7.0791 7.4776 7.4231 8.27 8.0431 7.404 6.3301 0.25 0.25 -2.75 -1.75 1.25 -0.25 -1.75 2.75 -1.25 -1.75 -1.25 -0.25 -0.25 0.25 1.25 -1.25 1.75 -1.75 -0.94 -2.06 -1.87 0.37 0.37 0.3577 -0.3326 -2.37 -3.06 -1.44 1.8326 1.1423 1.56 1.1674 1.8577 -2.2869 -2.06 -1.2131 3.06 3.06 5 6 3 3 6 9 10 11 12 13 7 3 4 14 2 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 277 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733800000000000000000000000000000000000000240000000000000000000000001E0010080000083CF18007020802C00600080001101000000000000000000080080000131002008000274000071600970001F0700F0000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[(2<I>S</I>,3<I>S</I>,4<I>S</I>)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S)-2-(2-azanylethoxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S)-2-(2-aminoethoxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H20N2O6/c1-5(14)12-7-9(16)8(15)6(4-13)18-10(7)17-3-2-11/h6-10,13,15-16H,2-4,11H2,1H3,(H,12,14)/t6?,7-,8?,9-,10-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QCTRCKYGWQLWGS-LJIZTFJLSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.13213636 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H20N2O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1C(C(C(OC1OCCN)CO)O)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]1OCCN)CO)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 134 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.13213636 18 5 3 2 0 0 0 0 1 -1