24139 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 8 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 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 11 12 8 24 10 25 12 26 13 27 14 9 14 23 9 10 16 12 17 11 18 13 19 20 21 22 15 28 29 30 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 8 2 10 9 16 2 1 9 7 12 8 17 2 1 10 3 8 11 18 1 1 11 1 10 13 19 1 1 12 1 4 9 20 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 5.135 2.5369 2.5369 6.001 5.135 6.001 4.269 3.403 4.269 3.403 4.269 5.135 4.269 5.135 5.135 3.403 4.8059 2.866 4.8059 5.135 3.6584 4.0569 3.732 2 2.5369 6.538 5.135 5.755 5.135 4.515 -0.69 0.81 -1.19 0.81 -2.69 1.81 1.81 0.31 0.81 -0.69 -1.19 0.31 -2.19 2.31 3.31 0.93 1.12 -0.38 -1.5 0.93 -2.0823 -2.7726 2.12 0.5 -1.81 0.5 -3.31 3.31 3.93 3.31 6 5 5 6 6 8 9 10 11 12 2 7 3 13 4 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 235 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 5 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0723800000000000000000000000000000000000000240000000000000000000000001E0010080000083CF18007020802C00600080001101000000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 OVRNDRQMDRJTHS-FMDGEEDCSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 221.089937 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H15NO6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 221.2078 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=O)NC1C(C(C(OC1O)CO)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 119 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 221.089937 15 5 5 0 0 0 0 0 1 2