160915 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 25 15 15 8 8 8 8 8 8 8 7 1 1 1 1 1 3 5 -1 6 -1 7 -1 8 -1 11 1 2 2 2 2 3 3 3 3 11 11 11 11 4 5 6 9 4 7 8 10 12 13 14 15 1 1 1 2 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 0.7071 1.7071 3.2071 2.7071 0.7071 1.7071 0 3.7071 1.7071 4.0731 2.0366 2.5735 1.4996 1.7266 2.3466 0.7071 1.7071 2.5731 1.7071 1.7071 0.7071 0 3.4392 2.7071 2.0731 5.9761 6.2861 5.6661 6.513 5.4392 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 124 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 00000371800238030000004000000000000000000000000000000000000000000000000000000000001000200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;manganic;phosphonato phosphate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;manganese(3+);phosphonato phosphate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 azanium;manganese(3+);phosphonato phosphate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 azanium;manganese(3+);phosphonato phosphate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;manganic;phosphonato phosphate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/Mn.H3N.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;1H3;(H2,1,2,3)(H2,4,5,6)/q+3;;/p-3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 UHHXUPJJDHEMGX-UHFFFAOYSA-K Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 246.884345 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 H4MnNO7P2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 246.919829 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [NH4+].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Mn+3] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [NH4+].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Mn+3] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 137 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 246.884345 11 0 0 0 0 0 0 0 3 1