45263220 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 17 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 11 11 23 7 19 8 20 9 21 10 22 10 11 18 8 9 12 10 13 11 14 15 16 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 2 8 9 12 3 1 8 3 7 10 13 3 1 9 4 7 11 14 3 1 10 5 6 8 15 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 1.5005 2.269 4.001 0.5369 4.001 2.269 2.269 3.135 1.403 3.135 1.403 1.732 3.135 1.9399 3.135 0.7924 1.1909 2.269 1.732 4.001 0 4.001 2.5005 0 6.12 5.12 5.12 3.12 3.12 5.12 4.62 4.62 3.62 3.62 5.43 5.24 4.31 3 3.7277 3.0374 2.5 6.43 5.74 4.81 2.5 0 3 3 3 3 7 8 9 10 2 3 4 5 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 120 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C06238000400000000000000000000000000000000002C0000000000000000000000001E00100800000814E18006000002C00200000000000000000000000000000080080001031002008000044000071000910000F010000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 piperidine-2,3,4,5-tetrol;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 piperidine-2,3,4,5-tetrol;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 piperidine-2,3,4,5-tetrol;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 piperidine-2,3,4,5-tetrol;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 piperidine-2,3,4,5-tetrol;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 piperidine-2,3,4,5-tetrol;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H11NO4.ClH/c7-2-1-6-5(10)4(9)3(2)8;/h2-10H,1H2;1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AEPDZTJJMIHYMG-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.0454856 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H12ClNO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.60 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(C(C(C(N1)O)O)O)O.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(C(C(C(N1)O)O)O)O.Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 93 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 185.0454856 11 4 0 4 0 0 0 0 2 -1