21604865 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 15 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 8 -1 9 -1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 11 11 11 12 12 13 13 14 14 15 16 16 7 8 9 10 13 15 11 24 12 25 14 26 15 27 16 12 13 17 14 18 16 19 15 20 21 22 23 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 3 12 13 17 1 1 12 4 11 14 18 1 1 13 2 11 16 19 1 1 14 5 15 12 20 2 1 15 2 6 14 21 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 6.8671 4.269 6.001 4.269 2.5369 2.5369 6.001 7.7331 6.3671 7.3671 5.135 4.269 5.135 3.403 3.403 6.001 5.135 4.8059 5.135 3.403 3.403 6.2131 6.6116 6.538 3.732 2 2.5369 1.972 0.472 -1.528 -2.528 -1.528 0.472 1.472 2.472 2.838 1.106 -1.028 -1.528 -0.028 -1.028 -0.028 0.472 -1.648 -1.838 0.592 -1.648 0.592 -0.1106 0.5796 -1.218 -2.838 -1.218 1.092 5 6 6 5 6 11 12 13 14 15 3 4 16 5 6 -2 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 266 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0603C02000000000000000000000000000000000000240000000000000000000000001A00000820000814B08003000800000710004000000080000000000000000000000000111002000000024000050000070001C060040000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl phosphate IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-oxanyl]methyl phosphate IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 [(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl phosphate IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl phosphate InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6-/m1/s1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 NBSCHQHZLSJFNQ-VFUOTHLCSA-L Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -4.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 258.014069 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C6H11O9P-2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 258.119902 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)([O-])[O-] SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)([O-])[O-] Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 163 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 258.014069 16 5 5 0 0 0 0 0 1 1