44828483 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 79 16 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 -1 1 2 3 3 4 4 5 5 6 6 7 7 8 8 8 9 9 10 10 11 11 12 13 13 2 12 10 12 8 21 9 22 11 23 13 24 9 10 14 11 15 13 16 12 17 18 19 20 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 4 9 10 14 1 1 9 5 8 11 15 1 1 10 3 8 13 16 3 1 11 6 12 9 17 2 1 12 2 3 11 18 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 6.001 6.001 4.269 2.5369 4.269 6.001 2.5369 3.403 4.269 3.403 5.135 5.135 2.5369 3.403 3.732 3.403 5.135 5.135 1.9264 2.3249 2 4.8059 6.538 2 2 1 1 -1 -2 -1 2 -0.5 -1 0.5 -0.5 0.5 1 -1.12 -1.31 1.12 -1.12 1.12 1.1077 0.4174 -0.69 -2.31 -0.69 2.31 6 5 3 6 6 8 9 10 11 12 4 5 13 6 2 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 160 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 00000371C0603800400000000000000200000000000000000000240000000000000000000000001A04000800000814A4C002800000000600000000000000000000000000000000000000011002000000024000050000030001C060040000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 gold(1+);(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-thiolate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 gold(1+);(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanethiolate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 gold(1+);(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 gold(1+);(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 gold(1+);(2R,3R,4S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-thiolate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 gold(1+);(2R,3R,4S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-thiolate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H12O5S.Au/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2?,3-,4+,5-,6-;/m1./s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XHVAWZZCDCWGBK-ZCTLANODSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 391.999290 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H11AuO5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C1C(C(C(C(O1)[S-])O)O)O)O.[Au+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C1[C@H]([C@@H]([C@H]([C@H](O1)[S-])O)O)O)O.[Au+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 91.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 391.999290 13 5 4 1 0 0 0 0 2 -1