6251 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 7 8 8 9 9 10 10 11 11 12 12 8 21 7 22 9 23 10 24 11 25 12 26 8 10 13 9 14 12 16 11 15 19 20 17 18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 2 8 10 13 1 1 8 1 7 9 14 1 1 9 3 8 12 16 1 1 10 4 7 11 15 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 25 26 6.001 5.135 6.8671 4.269 2.5369 8.5991 5.135 6.001 6.8671 4.269 3.403 7.7331 5.672 6.538 4.8059 6.3301 8.1316 7.3346 3.0044 3.8015 6.538 4.5981 7.404 3.732 2 9.136 1.25 -1.25 -1.25 1.25 0.25 -0.25 -0.25 0.25 -0.25 0.25 -0.25 0.25 -0.56 0.56 0.56 -0.56 0.7249 0.7249 -0.7249 -0.7249 1.56 -1.56 -1.56 1.56 -0.06 0.06 6 6 5 5 7 8 9 10 2 1 3 4 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 105 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 6 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0603800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002000000000200000000000000000000000000000000000000011002000000004000050000010001C060040000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 FBPFZTCFMRRESA-KVTDHHQDSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.079038 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H14O6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.17176 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C(C(C(CO)O)O)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 121 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.079038 12 4 4 0 0 0 0 0 1 1