439213 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 8 8 8 8 8 7 6 6 6 6 6 6 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 10 11 7 22 8 23 11 24 12 25 9 20 21 8 9 13 10 14 11 15 12 16 17 18 19 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 2 8 9 13 1 1 8 3 7 10 14 1 1 9 6 11 7 15 2 1 10 1 8 12 16 1 1 11 1 4 9 17 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 4.269 4.269 2.5369 6.001 2.5369 6.001 4.269 3.403 5.135 3.403 5.135 2.5369 4.8059 3.403 5.672 3.403 5.135 1.9264 2.3249 6.538 6.001 3.732 2 6.001 2 1 -2 -1 1 2 -1 -1 -0.5 -0.5 0.5 0.5 1 -1.31 -1.12 -0.19 1.12 1.12 1.1077 0.4174 -0.69 -1.62 -2.31 -0.69 1.62 2.31 5 6 6 5 3 7 8 9 10 11 2 3 6 12 4 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 155 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0623800000000000000000000000000000000000000240000000000000000000000001E0010080000083CF18007000800400600000000000000000000000000000080000000131002008000034000071000070001F070050000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MSWZFWKMSRAUBD-IVMDWMLBSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -2.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.07937252 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H13NO5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.17 ReferenceStandardization Structure 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Bypass - this structure was created from CID 439213 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C1C(C(C(C(O1)O)N)O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 116 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.07937252 12 5 4 1 0 0 0 0 1 -1