24540 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 15 8 8 8 8 7 7 1 1 1 1 1 1 1 1 1 3 -1 4 -1 6 1 7 1 1 1 1 1 2 6 6 6 6 7 7 7 7 2 3 4 5 8 9 10 11 12 13 14 15 16 1 1 1 2 1 1 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 3.9399 4.8059 3.0739 3.4399 4.4399 0.5369 4.2084 5.3429 1.0739 0 0.2269 0.8469 4.7453 3.6714 3.8984 4.5184 0.866 1.366 0.366 1.732 0 2.403 4.269 1.056 2.713 2.093 2.9399 1.866 4.579 3.959 4.8059 3.732 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C00338020000000000000000000000000000000000000000000000000000000000000000001008200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;hydrogen phosphate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;hydrogen phosphate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;hydrogen phosphate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;hydrogen phosphate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diazanium;hydrogen phosphate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diammonium;hydrogen phosphate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MNNHAPBLZZVQHP-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.02999377 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 H9N2O4P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.06 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [NH4+].[NH4+].OP(=O)([O-])[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [NH4+].[NH4+].OP(=O)([O-])[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 85.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 132.02999377 7 0 0 0 0 0 0 0 3 -1