60140973 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 39 15 11 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 3 1 4 -1 12 -1 1 2 2 2 2 3 5 7 7 8 9 9 9 10 10 10 11 11 11 12 12 14 14 14 12 4 5 6 9 4 24 13 25 13 10 13 15 11 16 17 12 18 19 14 20 21 22 23 6 1 1 2 1 7 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 2 10 13 15 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 5.232 3.5 2 3 2.634 4 6.0981 5.232 4.366 4.366 5.232 5.232 5.232 6.232 4.366 4.154 3.7554 5.4441 5.8426 4.612 6.232 6.852 6.232 2.097 6.635 2.5 -1.5 -0.634 -0.634 -2 -2.366 -1 -2.5 -1 0 0.5 1.5 -1.5 1.5 -1.62 0.5826 -0.1077 -0.0826 0.6077 1.5 0.88 1.5 2.12 -1.69 -1.31 3 9 10 -1 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 212 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603822000000000200000000000000000000000000000000000000000000000000001A080008200008008880000208000002100840009008800000000000000000010000000000120000000040000400000000018848000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;oxidanyl-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)phosphinate;yttrium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;1-carboxypentyl(hydroxy)phosphinate;yttrium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H12O5P.Na.Y/c1-2-3-4-5(6(7)8)12(9,10)11;;/h2,5H,3-4H2,1H3,(H,7,8)(H2,9,10,11);;/q-1;+1;/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FTETYTOBHCIVLJ-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.930018 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H11NaO5PY- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 306.02 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[CH-]CCC(C(=O)O)P(=O)(O)[O-].[Na+].[Y] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[CH-]CCC(C(=O)O)P(=O)(O)[O-].[Na+].[Y] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 97.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.930018 14 1 0 1 0 0 0 0 3 -1