6027 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 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 8 8 9 10 10 9 10 6 17 7 18 8 19 9 20 7 8 11 9 12 10 13 14 15 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 2 8 7 11 2 1 7 3 9 6 12 2 1 8 4 6 10 13 1 1 9 1 7 5 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 5.135 2.5369 4.269 2.5369 6.001 3.403 4.269 3.403 5.135 4.269 3.403 4.8059 3.403 5.135 3.8705 4.6675 2 4.8059 2.5369 6.538 -0.845 0.655 1.655 -1.345 0.655 0.155 0.655 -0.845 0.155 -1.345 0.775 0.965 -1.465 0.775 -1.82 -1.82 0.345 1.965 -1.965 0.345 6 5 5 5 6 7 8 9 2 3 4 5 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 117 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0603800000000000000000000000000000000000000240000000000000000000000001A00000800000814B08003000800000600000000000000000000000000000000000000111002000000024000050000070000C020000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 SRBFZHDQGSBBOR-LECHCGJUSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.052823 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H10O5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.1299 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1C(C(C(C(O1)O)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 90.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 150.052823 10 4 4 0 0 0 0 0 1 1