71312900 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 8 8 8 7 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 2 2 3 3 4 4 5 5 6 7 8 9 9 9 10 10 10 11 11 12 12 13 13 14 15 15 16 17 18 19 19 19 20 20 20 21 21 21 13 14 10 17 11 18 14 30 15 31 16 17 18 12 16 29 11 12 22 13 23 14 24 15 25 26 27 28 19 20 21 32 33 34 35 36 37 38 39 40 1 1 1 1 1 1 1 1 1 1 2 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 1 1 1 1 10 2 11 12 22 1 1 11 3 10 13 23 1 1 12 9 10 14 24 3 1 13 1 11 15 25 3 1 14 1 4 12 26 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 40 5.4641 5.4641 3.732 7.1962 3.732 8.0622 3.732 2.866 7.1962 5.4641 4.5981 6.3301 4.5981 6.3301 3.732 8.0622 4.5981 2.866 8.9282 4.5981 2 6.001 4.5981 6.8671 4.5981 6.3301 3.1215 3.52 7.1962 7.1962 3.1951 8.6182 9.4651 9.2382 3.9781 4.5981 5.2181 1.69 1.4631 2.31 1.595 -1.405 -0.405 1.595 2.595 1.095 -1.405 1.095 -0.405 -0.405 0.095 0.095 1.095 1.095 1.595 0.095 -1.905 0.095 -0.405 -2.905 -0.405 -0.715 -0.525 0.405 1.715 1.715 1.7027 1.0124 -1.025 2.215 2.905 -0.9419 -0.715 0.1319 -2.905 -3.525 -2.905 0.1319 -0.715 -0.9419 5 6 3 3 3 10 11 12 13 14 2 3 9 15 4 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 412 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371E0723C00000000000000000000000000000000000000240000000000000000000000001E0010080000083CF18007020802C00600080001901800000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(3S,4R)-5-acetamido-4-acetoxy-6-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] acetate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid [(3S,4R)-5-acetamido-4-acetyloxy-6-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(3<I>S</I>,4<I>R</I>)-5-acetamido-4-acetyloxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl] acetate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(3S,4R)-5-acetamido-4-acetyloxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl] acetate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(3S,4R)-5-acetamido-4-acetyloxy-2-(hydroxymethyl)-6-oxidanyl-oxan-3-yl] ethanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 acetic acid [(3S,4R)-5-acetamido-4-acetoxy-6-hydroxy-2-methylol-tetrahydropyran-3-yl] ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H19NO8/c1-5(15)13-9-11(20-7(3)17)10(19-6(2)16)8(4-14)21-12(9)18/h8-12,14,18H,4H2,1-3H3,(H,13,15)/t8?,9?,10-,11-,12?/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JCTNUTZHSLBEBB-AWKVMXQESA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.11106656 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H19NO8 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1C(C(C(OC1O)CO)OC(=O)C)OC(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1[C@H]([C@@H](C(OC1O)CO)OC(=O)C)OC(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 131 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.11106656 21 5 2 3 0 0 0 0 1 -1