517047 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 15 15 15 11 11 11 11 11 8 8 8 8 8 8 8 8 8 8 4 1 5 1 6 1 7 1 8 1 11 -1 13 -1 14 -1 15 -1 16 -1 1 1 1 1 2 2 2 2 3 3 3 3 4 5 6 7 8 9 10 11 12 9 13 14 17 10 15 16 18 11 13 14 15 16 1 1 1 2 1 1 1 2 1 1 1 2 7 7 7 7 7 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 5.4641 7.1962 3.732 5.4641 8.9282 7.1962 2 3.732 6.3301 4.5981 4.9641 5.9641 8.0622 7.6962 2.866 3.232 6.6962 4.232 0 0 -0 1.732 -0 1.732 -0 -1.732 0.5 -0.5 0.866 -0.866 -0.5 0.866 0.5 -0.866 -0.866 0.866 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 288 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037100003C330000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 pentasodium;[oxido(phosphonatooxy)phosphoryl] phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 pentasodium;[oxido(phosphonatooxy)phosphoryl] phosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 pentasodium;[oxido(phosphonatooxy)phosphoryl] phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 pentasodium;[oxido(phosphonatooxy)phosphoryl] phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 pentasodium;[oxidanidyl(phosphonatooxy)phosphoryl] phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 pentasodium;[oxido(phosphato)phosphoryl] phosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/5Na.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HWGNBUXHKFFFIH-UHFFFAOYSA-I Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.8192786 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Na5O10P3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.86 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 185 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.8192786 18 0 0 0 0 0 0 0 6 -1