70679509 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 17 8 8 8 8 7 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 6 6 7 7 7 8 8 9 9 10 10 11 12 12 12 13 13 13 29 10 11 8 24 9 25 11 13 7 22 23 8 9 14 10 15 11 16 12 17 18 19 20 21 26 27 28 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 1 7 6 8 9 14 1 1 8 3 7 10 15 1 1 9 4 7 11 16 1 1 10 2 8 12 17 1 1 11 2 9 5 18 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 1.8105 2.269 0.5369 4.001 4.001 2.269 2.269 1.403 3.135 1.403 3.135 0.5369 4.001 1.732 1.403 3.135 1.403 3.135 0.8469 0 0.2269 1.732 2.8059 0 4.538 4.621 4.001 3.381 2.8105 0 5.81 3.81 3.81 5.81 2.81 3.81 4.31 4.31 5.31 5.31 5.81 6.81 3.5 3.69 3.69 5.93 5.93 6.3469 6.12 5.2731 2.5 2.5 4.12 4.12 6.81 7.43 6.81 0 5 6 5 5 6 7 8 9 10 11 6 3 4 12 5 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 154 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 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0623800040000000000000000000000000000000000240000000000000000000000001E0010080000083CF18007020800400600000000000000000000000000000080000000131002008000224000071000070001C0600C0000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,3S,4S,5S,6R)-4-amino-2-methoxy-6-methyl-tetrahydropyran-3,5-diol;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,3S,4S,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>S</I>,3<I>S</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-4-amino-2-methoxy-6-methyloxane-3,5-diol;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,3S,4S,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,3S,4S,5S,6R)-4-azanyl-2-methoxy-6-methyl-oxane-3,5-diol;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S,3S,4S,5S,6R)-4-amino-2-methoxy-6-methyl-tetrahydropyran-3,5-diol;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H15NO4.ClH/c1-3-5(9)4(8)6(10)7(11-2)12-3;/h3-7,9-10H,8H2,1-2H3;1H/t3-,4+,5-,6+,7+;/m1./s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VDBFCKVTBVXPJL-FEFNGDHTSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 213.0767857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H16ClNO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 213.66 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C(C(C(C(O1)OC)O)N)O.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)N)O.Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 84.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 213.0767857 13 5 5 0 0 0 0 0 2 -1