157443 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 43 15 15 8 8 8 8 8 8 6 1 1 1 1 1 1 1 99 2 2 2 2 3 3 3 3 4 5 6 7 10 10 4 7 8 10 5 6 9 10 13 14 15 16 11 12 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 2.019 1.403 3.135 0.5369 4.001 3.635 0.903 1.903 2.635 2.269 2.6675 1.8705 0 4.538 3.325 1.213 0 3.366 3.366 2.866 2.866 4.232 4.232 2.5 2.5 3.866 4.341 4.341 3.176 3.176 4.769 4.769 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 152 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 4 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371800038030000000000000000000040000000000000000000000000000000000000000010080008200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 phosphonomethylphosphonic acid;technetium-99 IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 phosphonomethylphosphonic acid;technetium-99 IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 phosphonomethylphosphonic acid;technetium-99 IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 phosphonomethylphosphonic acid;technetium-99 IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 phosphonomethylphosphonic acid;technetium-99 InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/CH6O6P2.Tc/c2-8(3,4)1-9(5,6)7;/h1H2,(H2,2,3,4)(H2,5,6,7);/i;1+1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 IGLHHEWLHQOTJM-IEOVAKBOSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 274.870216 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 CH6O6P2Tc Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 274.908519 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(P(=O)(O)O)P(=O)(O)O.[Tc] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(P(=O)(O)O)P(=O)(O)O.[99Tc] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 115 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 274.870216 10 0 0 0 0 0 0 1 2 1