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 2.732 1 1.866 1 1.866 0.5 2.732 1.366 0 2.366 1.366 1.903 0.8291 1.056 1.676 2.366 2.366 0.866 1.366 2.866 3.232 1.366 0 2.366 0 5.769 6.079 5.459 6.3059 5.232 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 124 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371800238030000004000000000000000000000000000000000000000000000000000000000001000200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonium;manganic;phosphonato phosphate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonium;manganese(3+);phosphonato phosphate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanium;manganese(3+);phosphonato phosphate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanium;manganese(3+);phosphonato phosphate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanium;manganese(3+);phosphonato phosphate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ammonium;manganic;phosphonato phosphate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 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 1.0.6 InChI iupac.org 2021.10.14 UHHXUPJJDHEMGX-UHFFFAOYSA-K Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 246.884344 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 H4MnNO7P2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 246.92 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [NH4+].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Mn+3] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [NH4+].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Mn+3] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 137 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 246.884344 11 0 0 0 0 0 0 0 3 -1