3305 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 15 15 8 8 8 8 8 8 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 5 6 7 10 11 11 11 4 5 8 10 6 7 9 10 10 15 16 17 18 19 11 12 13 14 1 1 2 1 1 1 2 1 1 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 17 18 19 4.852 3.12 3.486 5.7181 5.352 2.254 2.62 4.6784 3.62 3.986 4.486 3.9491 4.796 5.023 3.5937 5.7181 5.972 2.254 2 0.5 -0.5 0.866 1 -0.366 -1 0.366 1.4848 -1.366 0 -0.866 -1.176 -1.403 -0.556 1.4766 1.62 -0.366 -1.62 0.366 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 211 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 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0403803000000000000000000000000000000000000000000000000000000000000001A080008200000008080000200000002100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-hydroxy-1-phosphono-ethyl)phosphonic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-hydroxy-1-phosphonoethyl)phosphonic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-hydroxy-1-phosphonoethyl)phosphonic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-hydroxy-1-phosphonoethyl)phosphonic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-oxidanyl-1-phosphono-ethyl)phosphonic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-hydroxy-1-phosphono-ethyl)phosphonic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DBVJJBKOTRCVKF-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 2021.10.14 205.97452659 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H8O7P2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 206.03 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(O)(P(=O)(O)O)P(=O)(O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(O)(P(=O)(O)O)P(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 135 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 205.97452659 11 0 0 0 0 0 0 0 1 -1