5785 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 10 7 14 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 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 3.7445 3.2112 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 1.0875 1.6798 -0.3898 1.9814 -1.9166 0.6942 6 5 7 8 13 2 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 232 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0603800000000000000000000000000000100000000000000000000000000000000001A00000800000814A0800200080000060088008050000200080020200000000140004811101600000400400005E000070000C220000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 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+/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 TYQCGQRIZGCHNB-JLAZNSOCSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 176.032088 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H8O6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 176.12412 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C1C(=O)C(=C(O1)O)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 107 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 176.032088 12 2 2 0 0 0 0 0 1 8