61 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 15 15 8 8 8 8 8 8 8 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 4 5 5 6 7 8 9 10 13 13 13 14 14 3 6 7 11 4 8 9 12 13 14 15 19 20 21 22 23 15 14 15 16 17 18 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 13 3 14 15 16 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 6.001 3.403 5.135 3.403 2.5369 6.8671 6.501 3.403 2.403 3.403 5.501 4.403 4.269 4.269 3.403 4.269 4.481 4.8796 2 7.404 6.191 2.866 2.093 1.155 -1.345 1.655 -0.345 1.155 0.655 2.021 -2.345 -1.345 2.655 0.289 -1.345 1.155 0.155 1.655 1.775 -0.4276 0.2627 1.465 0.965 2.558 -2.655 -1.8819 3 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 311 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0403C03000000000000000000000000000000000000000000000000000000000000001A00000820000814A080020008000003100840009008820000000000000000014000000100040000000040000120000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-diphosphonooxypropanoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-diphosphonooxypropanoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-diphosphonooxypropanoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-diphosphonooxypropanoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-diphosphonooxypropanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-diphosphonooxypropionic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XOHUEYCVLUUEJJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -3.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.95927044 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H8O10P2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.04 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)O)OP(=O)(O)O)OP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 171 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.95927044 15 1 0 1 0 0 0 0 1 -1