[2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate

C86H126F2N8O49P16 — CID 159481762

IUPAC[2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate
SMILESCOc1cc[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)cc1.CP(=O)(O)C(O)(CC[n+]1ccccc1)P(=O)([O-])O.CP(=O)(O)C(O)(C[n+]1cccc(-c2ccc(F)cc2)c1)P(=O)([O-])O.CP(=O)(O)C(O)(C[n+]1cccc(F)c1)P(=O)([O-])O.Cc1cc(C)c[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)c1.Cc1cc[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)cc1C.Cc1ccc2c(ccc[n+]2CC(O)(P(C)(=O)O)P(=O)([O-])O)c1.Cc1ccc2ccc[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)c2c1
InChIInChI=1S/C14H16FNO6P2.2C13H17NO6P2.2C10H17NO6P2.C9H15NO7P2.C9H15NO6P2.C8H12FNO6P2/c1-23(18,19)14(17,24(20,21)22)10-16-8-2-3-12(9-16)11-4-6-13(15)7-5-11;1-10-5-6-12-11(8-10)4-3-7-14(12)9-13(15,21(2,16)17)22(18,19)20;1-10-5-6-11-4-3-7-14(12(11)8-10)9-13(15,21(2,16)17)22(18,19)20;1-8-4-9(2)6-11(5-8)7-10(12,18(3,13)14)19(15,16)17;1-8-4-5-11(6-9(8)2)7-10(12,18(3,13)14)19(15,16)17;1-17-8-3-5-10(6-4-8)7-9(11,18(2,12)13)19(14,15)16;1-17(12,13)9(11,18(14,15)16)5-8-10-6-3-2-4-7-10;1-17(12,13)8(11,18(14,15)16)6-10-4-2-3-7(9)5-10/h2-9,17H,10H2,1H3,(H2-,18,19,20,21,22);2*3-8,15H,9H2,1-2H3,(H2-,16,17,18,19,20);2*4-6,12H,7H2,1-3H3,(H2-,13,14,15,16,17);3-6,11H,7H2,1-2H3,(H2-,12,13,14,15,16);2-4,6-7,11H,5,8H2,1H3,(H2-,12,13,14,15,16);2-5,11H,6H2,1H3,(H2-,12,13,14,15,16)
InChIKeyLXCARSQWIKBWDO-UHFFFAOYSA-N
MW2589.54 g/mol
LogP-0.97
Rot. Bonds35

About [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate

[2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate (PubChem CID 159481762) has the molecular formula C86H126F2N8O49P16 and a molecular weight of 2589.54 g/mol. Its IUPAC name is [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate.

Molecular Properties

Compound Name[2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate
PubChem CID159481762
Molecular FormulaC86H126F2N8O49P16
Molecular Weight2589.54 g/mol
Exact Mass2588.34
IUPAC Name[2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate
SMILESCOc1cc[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)cc1.CP(=O)(O)C(O)(CC[n+]1ccccc1)P(=O)([O-])O.CP(=O)(O)C(O)(C[n+]1cccc(-c2ccc(F)cc2)c1)P(=O)([O-])O.CP(=O)(O)C(O)(C[n+]1cccc(F)c1)P(=O)([O-])O.Cc1cc(C)c[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)c1.Cc1cc[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)cc1C.Cc1ccc2c(ccc[n+]2CC(O)(P(C)(=O)O)P(=O)([O-])O)c1.Cc1ccc2ccc[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)c2c1
InChIInChI=1S/C14H16FNO6P2.2C13H17NO6P2.2C10H17NO6P2.C9H15NO7P2.C9H15NO6P2.C8H12FNO6P2/c1-23(18,19)14(17,24(20,21)22)10-16-8-2-3-12(9-16)11-4-6-13(15)7-5-11;1-10-5-6-12-11(8-10)4-3-7-14(12)9-13(15,21(2,16)17)22(18,19)20;1-10-5-6-11-4-3-7-14(12(11)8-10)9-13(15,21(2,16)17)22(18,19)20;1-8-4-9(2)6-11(5-8)7-10(12,18(3,13)14)19(15,16)17;1-8-4-5-11(6-9(8)2)7-10(12,18(3,13)14)19(15,16)17;1-17-8-3-5-10(6-4-8)7-9(11,18(2,12)13)19(14,15)16;1-17(12,13)9(11,18(14,15)16)5-8-10-6-3-2-4-7-10;1-17(12,13)8(11,18(14,15)16)6-10-4-2-3-7(9)5-10/h2-9,17H,10H2,1H3,(H2-,18,19,20,21,22);2*3-8,15H,9H2,1-2H3,(H2-,16,17,18,19,20);2*4-6,12H,7H2,1-3H3,(H2-,13,14,15,16,17);3-6,11H,7H2,1-2H3,(H2-,12,13,14,15,16);2-4,6-7,11H,5,8H2,1H3,(H2-,12,13,14,15,16);2-5,11H,6H2,1H3,(H2-,12,13,14,15,16)
InChIKeyLXCARSQWIKBWDO-UHFFFAOYSA-N
XLogP-0.97
TPSA983.39 Ų
H-Bond Donors24
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002589.54
LogP ≤ 5-0.97
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate?
The IUPAC name of [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate (CID 159481762) is [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate.
What is the SMILES notation for [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate?
The canonical SMILES for [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate is COc1cc[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)cc1.CP(=O)(O)C(O)(CC[n+]1ccccc1)P(=O)([O-])O.CP(=O)(O)C(O)(C[n+]1cccc(-c2ccc(F)cc2)c1)P(=O)([O-])O.CP(=O)(O)C(O)(C[n+]1cccc(F)c1)P(=O)([O-])O.Cc1cc(C)c[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)c1.Cc1cc[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)cc1C.Cc1ccc2c(ccc[n+]2CC(O)(P(C)(=O)O)P(=O)([O-])O)c1.Cc1ccc2ccc[n+](CC(O)(P(C)(=O)O)P(=O)([O-])O)c2c1.
What is the InChIKey of [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate?
The InChIKey is LXCARSQWIKBWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO6P2.2C13H17NO6P2.2C10H17NO6P2.C9H15NO7P2.C9H15NO6P2.C8H12FNO6P2/c1-23(18,19)14(17,24(20,21)22)10-16-8-2-3-12(9-16)11-4-6-13(15)7-5-11;1-10-5-6-12-11(8-10)4-3-7-14(12)9-13(15,21(2,16)17)22(18,19)20;1-10-5-6-11-4-3-7-14(12(11)8-10)9-13(15,21(2,16)17)22(18,19)20;1-8-4-9(2)6-11(5-8)7-10(12,18(3,13)14)19(15,16)17;1-8-4-5-11(6-9(8)2)7-10(12,18(3,13)14)19(15,16)17;1-17-8-3-5-10(6-4-8)7-9(11,18(2,12)13)19(14,15)16;1-17(12,13)9(11,18(14,15)16)5-8-10-6-3-2-4-7-10;1-17(12,13)8(11,18(14,15)16)6-10-4-2-3-7(9)5-10/h2-9,17H,10H2,1H3,(H2-,18,19,20,21,22);2*3-8,15H,9H2,1-2H3,(H2-,16,17,18,19,20);2*4-6,12H,7H2,1-3H3,(H2-,13,14,15,16,17);3-6,11H,7H2,1-2H3,(H2-,12,13,14,15,16);2-4,6-7,11H,5,8H2,1H3,(H2-,12,13,14,15,16);2-5,11H,6H2,1H3,(H2-,12,13,14,15,16).
What are the key properties of [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate?
[2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate has a molecular weight of 2589.54 g/mol, XLogP of -0.97, 35 rotatable bonds, 24 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3,5-dimethylpyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-[3-(4-fluorophenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;[2-(3-fluoropyridin-1-ium-1-yl)-1-hydroxy-1-[hydroxy(methyl)phosphoryl]ethyl]-hydroxyphosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(4-methoxypyridin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(6-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(7-methylquinolin-1-ium-1-yl)ethyl]phosphinate;hydroxy-[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-pyridin-1-ium-1-ylpropyl]phosphinate is sourced from PubChem (CID 159481762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).