70261371 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 8 8 8 8 8 8 8 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 2 2 3 3 4 4 5 5 6 7 8 8 8 9 9 9 10 10 11 11 12 12 13 14 14 15 16 16 16 17 18 18 18 12 13 9 27 11 28 13 29 14 17 15 17 10 15 26 10 11 19 13 20 12 21 14 22 23 24 25 16 30 31 32 18 33 34 35 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 2 11 10 19 2 1 10 8 13 9 20 2 1 11 3 9 12 21 1 1 12 1 11 14 22 1 1 13 1 10 4 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 5.4641 5.4641 3.732 7.1962 3.732 8.0622 2 7.1962 5.4641 6.3301 4.5981 4.5981 6.3301 3.732 8.0622 8.9282 2.866 2.866 6.001 6.8671 4.5981 4.5981 6.3301 3.1215 3.52 7.1962 4.9272 3.1951 7.1962 8.6182 9.4651 9.2382 3.486 2.866 2.246 0.405 -2.595 -1.595 0.405 1.405 -0.095 1.405 -1.595 -1.595 -1.095 -1.095 -0.095 -0.095 0.405 -1.095 -1.595 1.905 2.905 -1.905 -0.785 -1.715 0.525 0.525 0.5127 -0.1776 -2.215 -2.905 -1.285 1.025 -2.1319 -1.905 -1.0581 2.905 3.525 2.905 5 6 6 5 6 9 10 11 12 13 2 8 3 14 4 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 321 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 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0723800000000000000000000000000000000000000240000000000000000000000001E0010080000083CF18007020802C00600080001901800000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl]methyl acetate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxy-2-oxanyl]methyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>,6<I>S</I>)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl acetate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methyl acetate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-tris(oxidanyl)oxan-2-yl]methyl ethanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-yl]methyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H17NO7/c1-4(12)11-7-9(15)8(14)6(18-10(7)16)3-17-5(2)13/h6-10,14-16H,3H2,1-2H3,(H,11,12)/t6-,7-,8-,9-,10+/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BUOUIFKLABWPRZ-IGORNWKESA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.10050188 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H17NO7 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.24 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1C(C(C(OC1O)COC(=O)C)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COC(=O)C)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 125 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.10050188 18 5 5 0 0 0 0 0 1 -1