15098525 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 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 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 14 14 15 16 16 16 17 17 17 18 18 18 11 12 8 14 10 27 12 30 13 33 15 9 15 26 9 10 19 12 20 11 21 13 22 23 24 25 16 28 29 17 18 31 32 34 35 36 37 38 39 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 1 8 2 10 9 19 2 1 9 7 12 8 20 2 1 10 3 8 11 21 1 1 11 1 10 13 22 1 1 12 1 4 9 23 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 30 31 32 33 34 35 36 37 38 39 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 3.403 6.8671 3.403 7.7331 2.5369 4.8059 5.672 3.403 3.403 5.135 1.9264 2.3249 6.001 2 3.1909 2.7924 6.001 3.615 4.0135 2 7.4231 8.27 8.0431 2.2269 2 2.8469 1.845 -1.155 -0.155 1.845 2.845 1.345 -0.155 -0.155 0.345 0.345 1.345 1.345 1.845 -1.655 0.345 -2.655 -0.155 -3.155 -0.465 0.655 -0.275 1.965 1.965 1.9527 1.2624 -0.775 0.155 -1.0724 -1.7627 2.465 -3.2376 -2.5473 3.155 -0.6919 -0.465 0.3819 -2.6181 -3.465 -3.6919 5 6 6 5 3 8 9 10 11 12 2 7 3 13 4 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 274 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 00000371E0723800000000000000000000000000000000000000240000000000000000000000001E0010080000083CF18007020802C00600080001101000000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-propoxy-tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-propoxy-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>S</I>,6<I>R</I>)-2,5-dihydroxy-6-(hydroxymethyl)-4-propoxyoxan-3-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-propoxyoxan-3-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-propoxy-oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(3R,4R,5S,6R)-2,5-dihydroxy-6-methylol-4-propoxy-tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H21NO6/c1-3-4-17-10-8(12-6(2)14)11(16)18-7(5-13)9(10)15/h7-11,13,15-16H,3-5H2,1-2H3,(H,12,14)/t7-,8-,9-,10-,11?/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XOJYLWCQWGEFFX-VZVZTSLSSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.13688739 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H21NO6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCOC1C(C(OC(C1O)CO)O)NC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCO[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 108 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.13688739 18 5 4 1 0 0 0 0 1 -1