439183 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 15 8 8 8 8 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 6 6 8 9 9 9 10 10 2 4 5 7 9 10 15 16 17 11 18 11 10 12 13 11 14 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 10 3 11 9 14 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 3.403 4.269 6.001 2.5369 2.903 7.7331 3.903 6.8671 5.135 6.001 6.8671 4.7365 5.5335 6.538 6.538 2 3.213 8.27 -0.405 0.095 1.095 -0.905 0.461 0.095 -1.271 -1.405 -0.405 0.095 -0.405 -0.8799 -0.8799 0.405 1.405 -0.595 0.998 -0.215 5 10 3 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 182 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 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180403802000000000000000000000000000000000000000000000000000000000000001A00000820000814A080020008000003100840009008820000000000000000014000000110040000000040000120000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-hydroxy-3-phosphonooxy-propanoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-hydroxy-3-phosphonooxypropanoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>R</I>)-2-hydroxy-3-phosphonooxypropanoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-hydroxy-3-phosphonooxypropanoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-oxidanyl-3-phosphonooxy-propanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-hydroxy-3-phosphonooxy-propionic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OSJPPGNTCRNQQC-UWTATZPHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.99293956 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H7O7P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 186.06 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)O)O)OP(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C([C@H](C(=O)O)O)OP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 124 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.99293956 11 1 1 0 0 0 0 0 1 -1