26938 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 19 19 19 19 15 15 8 8 8 8 8 8 8 6 6 1 1 1 1 1 1 2 1 3 1 4 1 8 -1 9 -1 10 -1 11 -1 5 5 5 5 6 6 6 6 7 7 14 15 15 15 8 9 12 14 10 11 13 14 14 19 15 16 17 18 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 6.0981 6.732 2.634 2 5.232 3.5 3.866 6.0981 5.732 2.634 3 5.232 4 4.366 4.866 4.3291 5.176 5.403 3.866 2 -0.366 -2 0.366 0.5 -0.5 0.866 1 -0.366 -1 0.366 1.5 -1.366 0 -0.866 -1.176 -1.403 -0.556 1.486 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 188 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 1 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037180403803006000000000000000000000000000000000000000000000000000000000001A080008200000008080000200000002100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 tetrapotassium;1,1-diphosphonatoethanol IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 tetrapotassium;1,1-diphosphonatoethanol IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 tetrapotassium;1,1-diphosphonatoethanol IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 tetrapotassium;1,1-diphosphonatoethanol IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 tetrapotassium;1,1-diphosphonatoethanol InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C2H8O7P2.4K/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 DHQZXBINJKHIPR-UHFFFAOYSA-J Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 357.798052 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C2H4K4O7P2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 358.389684 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 147 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 357.798052 15 0 0 0 0 0 0 0 5 1