4643300 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 15 8 8 8 8 8 8 6 6 6 1 1 1 1 1 5 -1 6 -1 1 1 1 1 2 3 3 4 8 8 8 9 10 10 2 5 6 7 8 10 15 9 9 11 12 10 13 14 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2.866 3.732 7.1962 5.4641 2 2.366 3.366 4.5981 5.4641 6.3301 4.1996 4.9966 5.9316 6.7287 7.7331 -0.317 0.183 0.183 1.183 -0.817 0.549 -1.183 -0.317 0.183 -0.317 -0.7919 -0.7919 -0.7919 -0.7919 -0.127 -2 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 147 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 0000037180403802000000000000000000000000000000000000000000000000000000000000001A00000820000804A080020000000003100840801000820000000000000000004000000010000000000040000100000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 (3-hydroxy-2-oxo-propyl) phosphate IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 (3-hydroxy-2-oxopropyl) phosphate IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 (3-hydroxy-2-oxopropyl) phosphate IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 (3-oxidanyl-2-oxidanylidene-propyl) phosphate IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 (3-hydroxy-2-keto-propyl) phosphate InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 GNGACRATGGDKBX-UHFFFAOYSA-L Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -2.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 167.982375 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C3H5O6P-2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 168.041962 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(=O)COP(=O)([O-])[O-])O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(C(=O)COP(=O)([O-])[O-])O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 110 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 167.982375 10 0 0 0 0 0 0 0 1 4