6981 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 6 6 7 7 7 8 8 9 10 10 11 7 12 8 17 10 18 9 11 19 12 20 8 9 13 10 14 11 15 16 12 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 7 1 9 8 13 2 1 8 2 7 10 14 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 5.0929 2.5896 2.1738 4.0051 6.1807 6.853 4.2839 3.3328 4.5929 3.1249 5.5929 5.9019 4.1509 3.4617 3.2112 3.7445 2 2.0449 6.7973 6.9818 -0.3665 0.5814 -1.3749 1.9814 1.9814 -0.0877 0.2213 -0.0877 1.1723 -1.0659 1.1723 0.2213 -0.6183 0.5187 -1.6798 -1.0875 0.3898 -1.9814 1.9166 -0.6942 5 5 7 8 13 2 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 232 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603800000000000000000000000000000100000000000000000000000000000000001A00000800000814A0800200080000060088008050000200080020200000000140004811101600000400400005E000070000C220000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>R</I>)-2-[(1<I>R</I>)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-[(1R)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2/t2-,5-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TYQCGQRIZGCHNB-DUZGATOHSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 176.03208797 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H8O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 176.12 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C1C(=O)C(=C(O1)O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C([C@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 107 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 176.03208797 12 2 2 0 0 0 0 0 1 -1