123961 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 6 6 6 7 7 7 8 8 9 9 10 10 11 11 12 7 19 8 20 9 24 11 25 12 10 21 22 8 9 13 10 14 11 15 12 16 17 18 23 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 1 8 9 13 1 1 8 2 7 10 14 1 1 9 3 7 11 15 1 1 10 6 8 12 16 1 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 5.135 6.001 4.269 2.5369 7.7331 7.7331 5.135 6.001 4.269 6.8671 3.403 6.8671 5.672 6.538 4.8059 7.404 3.0044 3.8015 4.5981 6.538 8.27 7.7331 6.3301 3.732 2 -1.155 1.345 1.345 0.345 -1.655 0.345 -0.155 0.345 0.345 -0.155 -0.155 -1.155 -0.465 0.655 0.655 -0.465 -0.6299 -0.6299 -1.465 1.655 0.035 0.965 -1.465 1.655 0.035 6 6 5 6 7 8 9 10 1 2 3 6 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 142 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0623800000000000000000000000000000000000000000000000000000000000000001E0010080000083CE18006000000400200080008108000000000000000000081800000031016008000004000073000010001FA5C014000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxy-hexanal IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>)-2-amino-3,4,5,6-tetrahydroxyhexanal IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3R,4S,5R)-2-azanyl-3,4,5,6-tetrakis(oxidanyl)hexanal IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxy-hexanal InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4-,5-,6-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FZHXIRIBWMQPQF-KVTDHHQDSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -3.7 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 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(C(C(C=O)N)O)O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C([C@H]([C@H]([C@@H]([C@@H](C=O)N)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 124 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 179.07937252 12 4 4 0 0 0 0 0 1 -1