683 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 4 5 6 7 8 9 10 13 13 13 14 14 3 7 8 11 5 9 10 12 14 13 19 15 15 20 21 22 23 14 15 16 17 18 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 13 4 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 8.5991 3.403 7.7331 6.001 4.269 5.135 9.4651 9.0991 2.5369 2.903 8.0991 3.903 6.001 6.8671 5.135 6.538 6.4685 7.2656 6.538 10.0021 8.7891 2 3.213 -0.405 -0.405 0.095 1.095 0.095 -1.405 -0.905 0.461 -0.905 0.461 -1.271 -1.271 0.095 -0.405 -0.405 0.405 -0.8799 -0.8799 1.405 -0.595 0.998 -0.595 0.998 3 13 4 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 00000371C0403C03000000000000000000000000000000000000000000000000000000000000001A00000820000814A080020008000003100840009008820000000000000000014000000110040000000000000120000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono 2-hydroxy-3-phosphonooxy-propanoate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-3-phosphonooxypropanoic acid phosphono ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono 2-hydroxy-3-phosphonooxypropanoate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono 2-hydroxy-3-phosphonooxypropanoate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 phosphono 2-oxidanyl-3-phosphonooxy-propanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-3-phosphonooxy-propionic acid phosphono ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LJQLQCAXBUHEAZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -3.9 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)OP(=O)(O)O)O)OP(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)OP(=O)(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