70657840 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 8 8 8 8 8 8 7 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 1 2 2 3 3 4 4 5 5 6 7 7 7 8 8 9 9 9 10 10 11 11 12 12 13 14 14 15 16 16 16 12 13 10 25 11 26 8 13 14 27 15 9 15 24 31 32 10 13 17 11 18 12 19 14 20 21 22 23 16 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 1 1 9 7 10 13 17 3 1 10 2 9 11 18 3 1 11 3 12 10 19 2 1 12 1 11 14 20 3 1 13 1 9 4 21 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 4.269 4.269 2.5369 6.001 2.5369 6.8671 6.001 6.001 5.135 4.269 3.403 3.403 5.135 2.5369 6.8671 7.7331 5.672 4.8059 3.403 3.403 5.135 1.9264 2.3249 6.001 3.732 2 2 7.4231 8.27 8.0431 6.538 5.4641 1 -2 -1 1 2 0.5 -1 2 -0.5 -1 -0.5 0.5 0.5 1 -0.5 -1 -0.19 -1.31 -1.12 1.12 1.12 1.1077 0.4174 -1.62 -2.31 -0.69 2.31 -1.5369 -1.31 -0.4631 2.31 2.31 3 3 5 3 6 9 10 11 12 13 7 2 3 14 4 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 251 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 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733800000000000000000000000000000000000000240000000000000000000000001E0014080000083CF18007020802C00600080001101000000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,5R)-2-aminooxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,5R)-2-aminooxy-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[(2<I>R</I>,5<I>R</I>)-2-aminooxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,5R)-2-aminooxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,5R)-2-azanyloxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2R,5R)-2-aminooxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H16N2O6/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)16-9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4?,5?,6-,7?,8+/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XRZLVHCKXHEMGA-GBZOPPSHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.10083623 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H16N2O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1C(C(C(OC1ON)CO)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1[C@H](OC([C@@H](C1O)O)CO)ON Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 134 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 236.10083623 16 5 2 3 0 0 0 0 1 -1