92283 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 4 5 6 7 7 7 8 8 9 9 10 10 12 7 11 8 17 9 19 10 20 11 12 8 10 13 9 14 11 15 12 16 18 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 7 1 8 10 13 1 1 8 2 7 9 14 1 1 9 3 8 11 15 1 1 10 4 12 7 16 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 5.0298 2.4608 3.133 3.3548 5.3086 5.0868 4.2208 3.4118 3.7208 4.2208 4.7208 5.0868 4.9782 2.9734 3.1085 4.2208 2 5.6238 3.3852 3.3548 -0.3807 -0.0716 -2.1407 1.7071 -2.1407 2.7071 0.2071 -0.3807 -1.3317 1.2071 -1.3317 1.7071 0.593 -0.8191 -1.2347 1.8271 -0.4865 1.3971 -2.7071 2.3271 6 5 5 5 7 8 9 10 13 2 3 4 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 202 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 3 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 00000371C0603800000000000000000000000000000120000000000000000000000000000000001A00000800000814A08002000800000600080008908802000000000000000001400000011016000000024000052000030001CA6C044000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxo-tetrahydrofuran-2-yl]-2-hydroxy-acetaldehyde IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxo-2-oxolanyl]-2-hydroxyacetaldehyde IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(2S,3R,4S)-3,4-bis(oxidanyl)-5-oxidanylidene-oxolan-2-yl]-2-oxidanyl-ethanal IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-keto-tetrahydrofuran-2-yl]-2-hydroxy-acetaldehyde 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/h1-5,8-10H/t2-,3+,4-,5+/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 UYUXSRADSPPKRZ-SKNVOMKLSA-N Log P XLogP3-AA 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(=O)C(C1C(C(C(=O)O1)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 104 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 176.032088 12 4 4 0 0 0 0 0 1 23