62142 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 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 8 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 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 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 10 11 11 13 7 40 8 41 9 42 12 49 8 9 23 10 24 11 25 12 26 27 28 29 14 30 31 15 32 33 16 34 35 17 36 37 18 38 39 19 43 44 20 45 46 21 47 48 22 50 51 52 53 54 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 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 1 1 1 1 7 3 8 9 23 1 1 8 4 7 10 24 1 1 9 5 11 7 25 2 1 10 1 8 12 26 1 1 11 1 2 9 27 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 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 4.269 6.001 4.269 2.5369 6.001 2.5369 4.269 3.403 5.135 3.403 5.135 2.5369 6.001 6.8671 6.8671 7.7331 7.7331 8.5991 8.5991 9.4651 9.4651 10.3312 4.8059 3.403 5.135 3.403 5.135 1.9264 2.3249 5.789 5.3905 7.0791 7.4776 6.655 6.2565 7.9451 8.3437 7.521 7.1225 3.732 2 6.538 8.8112 9.2097 8.3871 7.9885 9.6772 10.0757 2 9.2531 8.8546 10.6412 10.8681 10.0212 -2.095 -2.095 -5.095 -4.095 -4.095 -1.095 -4.095 -3.595 -3.595 -2.595 -2.595 -2.095 -1.095 -0.595 0.405 0.905 1.905 2.405 3.405 3.905 4.905 5.405 -4.405 -4.215 -4.215 -1.975 -1.975 -1.9873 -2.6776 -0.5124 -1.2027 -1.1776 -0.4873 0.9876 0.2973 0.3224 1.0127 2.4876 1.7973 -5.405 -3.785 -3.785 1.8224 2.5127 3.9876 3.2973 3.3224 4.0127 -0.785 5.4876 4.7973 4.8681 5.715 5.9419 5 6 6 5 5 7 8 9 10 11 3 4 5 12 2 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 275 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 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371F0783800000000000000000000000000000000000000240000000000000000000000001A00000800000814B08003020800000600000000000000000000000000000000000000111002000000224000050000070001C0E0AC0000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R,3R,4S,5S,6R)-2-decoxy-6-methylol-tetrahydropyran-3,4,5-triol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 JDRSMPFHFNXQRB-IBEHDNSVSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 320.219889 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C16H32O6 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 320.42168 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 99.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 320.219889 22 5 5 0 0 0 0 0 1 1