24451 1 2 3 4 5 6 7 8 9 10 11 12 13 15 15 11 11 8 8 8 8 8 8 8 1 1 3 1 4 1 8 -1 9 -1 1 1 1 1 2 2 2 2 6 7 5 6 8 10 5 7 9 11 12 13 1 1 1 2 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 3.403 5.135 3.403 5.135 4.269 2.5369 6.001 2.903 5.635 3.903 4.635 2 6.538 -0.433 -0.433 1.299 1.299 0.067 -0.933 -0.933 0.433 0.433 -1.299 -1.299 -0.623 -0.623 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 143 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371000038330000000000000000000000000000000000000000000000000000000000000000000008200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;[oxidanidyl(oxidanyl)phosphoryl] hydrogen phosphate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 GYQBBRRVRKFJRG-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 221.907114 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 H2Na2O7P2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 221.938743 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 OP(=O)([O-])OP(=O)(O)[O-].[Na+].[Na+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 OP(=O)([O-])OP(=O)(O)[O-].[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 130 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 221.907114 11 0 0 0 0 0 0 0 3 1