70254481 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 8 8 8 8 8 7 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 1 1 1 2 2 3 3 4 4 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 13 13 14 14 14 15 16 16 16 17 17 17 18 18 18 11 12 12 14 10 29 13 34 15 9 15 24 8 27 28 9 10 19 12 20 11 21 13 22 23 25 26 16 30 31 17 18 32 33 35 36 37 38 39 40 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 1 1 1 1 8 7 9 10 19 1 1 9 6 8 12 20 1 1 10 3 8 11 21 1 1 11 1 10 13 22 1 1 12 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 39 40 4.269 6.001 2.5369 2.5369 6.8671 6.001 4.269 4.269 5.135 3.403 3.403 5.135 2.5369 6.001 6.8671 6.8671 7.7331 6.8671 3.732 5.135 3.403 3.403 5.135 6.001 1.9264 2.3249 3.732 4.8059 2 5.789 5.3905 7.0791 7.4776 2 7.4231 8.27 8.0431 7.4871 6.8671 6.2471 0.405 0.405 -1.595 1.405 -0.095 -1.595 -2.595 -1.595 -1.095 -1.095 -0.095 -0.095 0.405 1.405 -1.095 1.905 -1.595 2.905 -1.905 -1.715 -1.715 0.525 0.525 -2.215 0.5127 -0.1776 -2.905 -2.905 -1.285 1.9876 1.2973 1.3224 2.0127 1.715 -2.1319 -1.905 -1.0581 2.905 3.525 2.905 6 5 6 5 6 8 9 10 11 12 7 6 3 13 2 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 276 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733800000000000000000000000000000000000000240000000000000000000000001E0010080000083CF18007020802C00600080001101000000000000000000080080000135002008000374000071600970001F0700F0000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-(hydroxymethyl)-2-propoxy-tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-(hydroxymethyl)-2-propoxy-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>,5<I>S</I>,6<I>R</I>)-4-amino-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S,5S,6R)-4-azanyl-6-(hydroxymethyl)-5-oxidanyl-2-propoxy-oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-methylol-2-propoxy-tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H22N2O5/c1-3-4-17-11-9(13-6(2)15)8(12)10(16)7(5-14)18-11/h7-11,14,16H,3-5,12H2,1-2H3,(H,13,15)/t7-,8+,9+,10-,11+/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XZROYPFQKMEFIT-KJPMQGKISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.15287181 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H22N2O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.30 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCOC1C(C(C(C(O1)CO)O)N)NC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCO[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)N)NC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 114 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.15287181 18 5 5 0 0 0 0 0 1 -1