444305 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 7 7 7 8 8 8 14 7 13 9 16 10 15 9 10 8 10 11 9 12 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 7 2 10 8 11 2 1 8 1 9 7 12 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 5.135 4.269 6.8671 2.5369 6.001 3.403 4.269 5.135 6.001 3.403 4.8059 5.672 3.732 5.672 2 7.404 1.25 -1.25 0.25 -0.25 -1.25 1.25 -0.25 0.25 -0.25 0.25 -0.56 0.56 -1.56 1.56 0.06 -0.06 5 5 7 8 2 1 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 134 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180603800000000000000000000000000000000000000000000000000000000000000001A00000800000814A080020008000002000800009008020000000000000000014000000110140000000040000520000100004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R)-2,3-dihydroxybutanedioic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R)-2,3-dihydroxybutanedioic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R)-2,3-dihydroxybutanedioic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R)-2,3-bis(oxidanyl)butanedioic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R)-2,3-dihydroxysuccinic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 FEWJPZIEWOKRBE-JCYAYHJZSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.016438 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H6O6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.08684 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C(=O)O)O)(C(=O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 115 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.016438 10 2 2 0 0 0 0 0 1 1