439554 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 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 2 2 3 3 4 4 5 5 6 6 6 7 7 8 8 9 9 10 11 11 11 9 10 6 20 7 21 8 22 10 23 7 8 12 9 13 10 14 11 15 16 17 18 19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 2 8 7 12 2 1 7 3 6 9 13 1 1 8 4 6 10 14 1 1 9 1 11 7 15 2 1 10 1 5 8 16 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 4.269 4.269 6.001 2.5369 2.5369 4.269 5.135 3.403 5.135 3.403 6.001 4.8059 5.135 3.403 5.135 3.403 5.691 6.538 6.311 4.8059 6.538 2 2.5369 -1.345 1.655 0.655 0.655 -1.345 0.655 0.155 0.155 -0.845 -0.845 -1.345 0.965 0.775 0.775 -1.465 -1.465 -1.8819 -1.655 -0.8081 1.965 0.345 0.345 -1.965 6 6 5 6 5 6 7 8 9 10 2 3 4 11 5 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 139 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 00000371C0603800000000000000000000000000000000000000240000000000000000000000001A00000800000814B08003020800000600000000000000000000000000000000000000111002000000024000050000070001C060040000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3S,4R,5S,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3S,4R,5S,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 SHZGCJCMOBCMKK-SXUWKVJYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 164.068473 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H12O5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 164.15648 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1C(C(C(C(O1)O)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C[C@H]1[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 2011.09.13 164.068473 11 5 5 0 0 0 0 0 1 1