69269997 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 41 42 43 44 45 8 8 8 8 8 8 7 6 6 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 1 1 1 2 2 3 3 4 4 5 5 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 13 14 14 14 15 15 16 16 16 17 18 18 18 19 19 19 20 20 20 8 12 8 32 10 35 11 36 15 39 17 9 17 29 9 13 10 21 11 22 12 23 15 24 14 25 26 16 27 28 30 31 18 33 34 19 20 37 38 40 41 42 43 44 45 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 1 1 1 1 1 1 8 1 2 9 13 1 1 9 7 8 10 21 1 1 10 3 11 9 22 2 1 11 4 10 12 23 1 1 12 1 11 15 24 1 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 41 42 43 44 45 6.3301 5.9641 3.732 5.4641 8.0622 2.866 3.732 5.4641 4.5981 4.5981 5.4641 6.3301 4.9641 5.4641 7.1962 4.9641 2.866 5.4641 2 4.9641 4.5981 4.5981 6.001 6.8671 4.4892 4.4892 5.939 5.939 3.732 7.5947 6.7976 6.5841 4.4892 4.4892 3.732 6.001 5.939 5.939 8.5991 1.69 1.4631 2.31 4.4272 4.6541 5.501 1.0101 -0.356 2.5101 3.5101 2.0101 2.0101 0.5101 0.5101 1.0101 2.0101 2.5101 2.0101 -0.356 -1.222 2.5101 -2.088 1.0101 -2.954 0.5101 -3.8201 0.3901 2.6301 2.8201 1.7001 0.0426 -0.7545 -1.6205 -0.8235 -0.1099 2.985 2.985 -0.356 -1.6895 -2.4865 3.1301 3.8201 -3.3526 -2.5555 2.3201 1.047 0.2001 -0.0269 -3.5101 -4.357 -4.1301 5 6 5 6 5 8 9 10 11 12 2 7 3 4 15 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 326 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 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0723800000000000000000000000000000000000000240000000000000000000000001E0010080000083CE18006020802C00600080001101000000000000000000080080000131002008000074000071600970001F0F0A70000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-pentyl-tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-pentyl-3-oxanyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-pentyloxan-3-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-pentyloxan-3-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)-2-pentyl-oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,3R,4R,5S,6R)-2-amyl-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C13H25NO6/c1-3-4-5-6-13(19)12(14-8(2)16)11(18)10(17)9(7-15)20-13/h9-12,15,17-19H,3-7H2,1-2H3,(H,14,16)/t9-,10-,11+,12-,13-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GWGQAKGRNBKDDJ-UJPOAAIJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.16818752 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C13H25NO6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC1(C(C(C(C(O1)CO)O)O)NC(=O)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)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 2021.05.07 291.16818752 20 5 5 0 0 0 0 0 1 -1