706 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 15 15 8 8 8 8 8 8 8 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 2 2 2 2 3 5 7 8 10 10 10 10 11 11 11 12 12 12 12 13 13 14 15 15 15 16 16 17 17 17 18 18 19 19 20 20 20 21 21 22 22 23 23 23 24 24 24 3 4 5 6 4 7 8 9 22 50 51 52 11 14 25 26 16 27 28 13 15 29 30 14 17 31 18 32 33 19 20 34 35 36 21 37 22 38 39 40 41 23 24 42 43 44 45 46 47 48 49 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13 12 17 14 10 31 3 1 16 11 20 19 22 38 3 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 13.2583 14.9904 12.3923 14.1244 12.7583 13.7583 15.8564 15.4904 14.4904 8.0622 8.9282 5.4641 6.3301 7.1962 4.5981 9.7942 6.3301 3.732 10.6603 9.7942 2.866 11.5263 2 2.866 8.4607 7.6636 8.5297 9.3267 5.0656 5.8626 7.1962 4.9966 4.1996 6.9501 6.3301 5.7101 3.732 10.6603 10.4142 9.7942 9.1742 11.9248 11.1278 1.69 1.4631 2.31 3.486 2.866 2.246 13.0683 16.3933 15.1804 -0.2685 -0.2685 -0.7685 0.2315 0.5976 -1.1345 -0.7685 0.5976 -1.1345 -0.2685 -0.7685 -0.7685 -0.2685 -0.7685 -0.2685 -0.2685 0.7315 -0.7685 -0.7685 0.7315 -0.2685 -0.2685 -0.7685 0.7315 0.2065 0.2065 -1.2434 -1.2434 -1.2434 -1.2434 -1.3885 0.2065 0.2065 0.7315 1.3515 0.7315 -1.3885 -1.3885 0.7315 1.3515 0.7315 0.2065 0.2065 -0.2315 -1.0785 -1.3054 0.7315 1.3515 0.7315 1.1345 -0.4585 1.1345 1 1 13 16 14 19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 568 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371E0703803000000000000000000000000000000000000000000000000000000000000001A00000820000C00A080020200000001108042204200800000002000000008000000080004020001000010000080000800020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 VWFJDQUYCIWHTN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 2.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 382.131026 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C15H28O7P2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 382.326144 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 113 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 382.131026 24 0 0 0 2 0 2 0 1 1