sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide

C173H143F3NaO59- — CID 159698879

IUPACsodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide
SMILESCC(=O)c1cc(=O)c2c(OCC(F)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1.CC(=O)c1cc(=O)c2c(OCC(F)COc3cccc4oc(C(C)=O)cc(=O)c34)cccc2o1.CC(=O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(C)=O)cc(=O)c34)cccc2o1.CC(=O)c1cc(=O)c2c(OCC(O)COc3cccc4oc([C-]=O)cc(=O)c34)cccc2o1.CCc1cc(=O)c2c(OCC(COc3cccc4oc(CC)cc(=O)c34)OC(C)=O)cccc2o1.CCc1cc(=O)c2c(OCC(F)COc3cccc4oc(CO)cc(=O)c34)cccc2o1.CCc1cc(=O)c2c(OCC(O)COc3cccc4oc(CO)cc(=O)c34)cccc2o1.[Na+].[OH-]
InChIInChI=1S/C27H26O8.C25H19FO8.C25H20O9.C24H17FO9.C24H21FO7.C24H17O9.C24H22O8.Na.H2O/c1-4-17-12-20(29)26-22(8-6-10-24(26)34-17)31-14-19(33-16(3)28)15-32-23-9-7-11-25-27(23)21(30)13-18(5-2)35-25;1-13(27)22-9-16(29)24-18(5-3-7-20(24)33-22)31-11-15(26)12-32-19-6-4-8-21-25(19)17(30)10-23(34-21)14(2)28;1-13(26)22-9-16(29)24-18(5-3-7-20(24)33-22)31-11-15(28)12-32-19-6-4-8-21-25(19)17(30)10-23(34-21)14(2)27;1-12(26)20-8-14(27)22-16(4-2-6-18(22)33-20)31-10-13(25)11-32-17-5-3-7-19-23(17)15(28)9-21(34-19)24(29)30;1-2-15-9-17(27)23-19(5-3-7-21(23)31-15)29-12-14(25)13-30-20-6-4-8-22-24(20)18(28)10-16(11-26)32-22;1-13(26)22-9-17(29)24-19(5-3-7-21(24)33-22)31-12-14(27)11-30-18-4-2-6-20-23(18)16(28)8-15(10-25)32-20;1-2-15-9-17(27)23-19(5-3-7-21(23)31-15)29-12-14(26)13-30-20-6-4-8-22-24(20)18(28)10-16(11-25)32-22;;/h6-13,19H,4-5,14-15H2,1-3H3;3-10,15H,11-12H2,1-2H3;3-10,15,28H,11-12H2,1-2H3;2-9,13H,10-11H2,1H3,(H,29,30);3-10,14,26H,2,11-13H2,1H3;2-9,14,27H,11-12H2,1H3;3-10,14,25-26H,2,11-13H2,1H3;;1H2/q;;;;;-1;;+1;/p-1
InChIKeyXXQLQWPUWCIBNO-UHFFFAOYSA-M
MW3245.97 g/mol
LogP20.96
Rot. Bonds57

About sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide

sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide (PubChem CID 159698879) has the molecular formula C173H143F3NaO59- and a molecular weight of 3245.97 g/mol. Its IUPAC name is sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide.

Molecular Properties

Compound Namesodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide
PubChem CID159698879
Molecular FormulaC173H143F3NaO59-
Molecular Weight3245.97 g/mol
Exact Mass3243.80
IUPAC Namesodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide
SMILESCC(=O)c1cc(=O)c2c(OCC(F)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1.CC(=O)c1cc(=O)c2c(OCC(F)COc3cccc4oc(C(C)=O)cc(=O)c34)cccc2o1.CC(=O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(C)=O)cc(=O)c34)cccc2o1.CC(=O)c1cc(=O)c2c(OCC(O)COc3cccc4oc([C-]=O)cc(=O)c34)cccc2o1.CCc1cc(=O)c2c(OCC(COc3cccc4oc(CC)cc(=O)c34)OC(C)=O)cccc2o1.CCc1cc(=O)c2c(OCC(F)COc3cccc4oc(CO)cc(=O)c34)cccc2o1.CCc1cc(=O)c2c(OCC(O)COc3cccc4oc(CO)cc(=O)c34)cccc2o1.[Na+].[OH-]
InChIInChI=1S/C27H26O8.C25H19FO8.C25H20O9.C24H17FO9.C24H21FO7.C24H17O9.C24H22O8.Na.H2O/c1-4-17-12-20(29)26-22(8-6-10-24(26)34-17)31-14-19(33-16(3)28)15-32-23-9-7-11-25-27(23)21(30)13-18(5-2)35-25;1-13(27)22-9-16(29)24-18(5-3-7-20(24)33-22)31-11-15(26)12-32-19-6-4-8-21-25(19)17(30)10-23(34-21)14(2)28;1-13(26)22-9-16(29)24-18(5-3-7-20(24)33-22)31-11-15(28)12-32-19-6-4-8-21-25(19)17(30)10-23(34-21)14(2)27;1-12(26)20-8-14(27)22-16(4-2-6-18(22)33-20)31-10-13(25)11-32-17-5-3-7-19-23(17)15(28)9-21(34-19)24(29)30;1-2-15-9-17(27)23-19(5-3-7-21(23)31-15)29-12-14(25)13-30-20-6-4-8-22-24(20)18(28)10-16(11-26)32-22;1-13(26)22-9-17(29)24-19(5-3-7-21(24)33-22)31-12-14(27)11-30-18-4-2-6-20-23(18)16(28)8-15(10-25)32-20;1-2-15-9-17(27)23-19(5-3-7-21(23)31-15)29-12-14(26)13-30-20-6-4-8-22-24(20)18(28)10-16(11-25)32-22;;/h6-13,19H,4-5,14-15H2,1-3H3;3-10,15H,11-12H2,1-2H3;3-10,15,28H,11-12H2,1-2H3;2-9,13H,10-11H2,1H3,(H,29,30);3-10,14,26H,2,11-13H2,1H3;2-9,14,27H,11-12H2,1H3;3-10,14,25-26H,2,11-13H2,1H3;;1H2/q;;;;;-1;;+1;/p-1
InChIKeyXXQLQWPUWCIBNO-UHFFFAOYSA-M
XLogP20.96
TPSA866.40 Ų
H-Bond Donors6
H-Bond Acceptors58
Rotatable Bonds57
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003245.97
LogP ≤ 520.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide with MolForge

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Related Compounds

sodium;5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid;hydride
CID 132968098
disodium;5-[2-hydroxy-3-[4-oxo-2-(oxomethyl)chromen-5-yl]oxypropoxy]-4-oxochromene-2-carboxylate;oxygen(2-)
CID 159547559
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-(2-methylpropanoyloxy)propoxy]-4-oxochromene-2-carboxylic acid
CID 170409290
ethyl 5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
CID 162212037
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-7-fluoro-4-oxochromene-2-carboxylic acid
CID 75235432
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-pentanoyloxypropoxy]-4-oxochromene-2-carboxylic acid
CID 170602343
5-[2-hydroxy-3-(4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylic acid
CID 54176594
5-[(2S)-3-(2-carboxy-4-oxochromen-6-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
CID 51380894
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-(2-hydroxybenzoyl)oxypropoxy]-4-oxochromene-2-carboxylic acid
CID 170408320
5-[2-(5-amino-2-hydroxybenzoyl)oxy-3-(2-carboxy-4-oxochromen-5-yl)oxypropoxy]-4-oxochromene-2-carboxylic acid
CID 170408405
CID 53249579
CID 53249579
sodium 5-[2-hydroxy-3-[2-(hydroxycarbamoyl)-4-oxochromen-5-yl]oxypropoxy]-4-oxochromene-2-carboxylate
CID 158937732

Frequently Asked Questions

What is the IUPAC name of sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide?
The IUPAC name of sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide (CID 159698879) is sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide.
What is the SMILES notation for sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide?
The canonical SMILES for sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide is CC(=O)c1cc(=O)c2c(OCC(F)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1.CC(=O)c1cc(=O)c2c(OCC(F)COc3cccc4oc(C(C)=O)cc(=O)c34)cccc2o1.CC(=O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(C)=O)cc(=O)c34)cccc2o1.CC(=O)c1cc(=O)c2c(OCC(O)COc3cccc4oc([C-]=O)cc(=O)c34)cccc2o1.CCc1cc(=O)c2c(OCC(COc3cccc4oc(CC)cc(=O)c34)OC(C)=O)cccc2o1.CCc1cc(=O)c2c(OCC(F)COc3cccc4oc(CO)cc(=O)c34)cccc2o1.CCc1cc(=O)c2c(OCC(O)COc3cccc4oc(CO)cc(=O)c34)cccc2o1.[Na+].[OH-].
What is the InChIKey of sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide?
The InChIKey is XXQLQWPUWCIBNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H26O8.C25H19FO8.C25H20O9.C24H17FO9.C24H21FO7.C24H17O9.C24H22O8.Na.H2O/c1-4-17-12-20(29)26-22(8-6-10-24(26)34-17)31-14-19(33-16(3)28)15-32-23-9-7-11-25-27(23)21(30)13-18(5-2)35-25;1-13(27)22-9-16(29)24-18(5-3-7-20(24)33-22)31-11-15(26)12-32-19-6-4-8-21-25(19)17(30)10-23(34-21)14(2)28;1-13(26)22-9-16(29)24-18(5-3-7-20(24)33-22)31-11-15(28)12-32-19-6-4-8-21-25(19)17(30)10-23(34-21)14(2)27;1-12(26)20-8-14(27)22-16(4-2-6-18(22)33-20)31-10-13(25)11-32-17-5-3-7-19-23(17)15(28)9-21(34-19)24(29)30;1-2-15-9-17(27)23-19(5-3-7-21(23)31-15)29-12-14(25)13-30-20-6-4-8-22-24(20)18(28)10-16(11-26)32-22;1-13(26)22-9-17(29)24-19(5-3-7-21(24)33-22)31-12-14(27)11-30-18-4-2-6-20-23(18)16(28)8-15(10-25)32-20;1-2-15-9-17(27)23-19(5-3-7-21(23)31-15)29-12-14(26)13-30-20-6-4-8-22-24(20)18(28)10-16(11-25)32-22;;/h6-13,19H,4-5,14-15H2,1-3H3;3-10,15H,11-12H2,1-2H3;3-10,15,28H,11-12H2,1-2H3;2-9,13H,10-11H2,1H3,(H,29,30);3-10,14,26H,2,11-13H2,1H3;2-9,14,27H,11-12H2,1H3;3-10,14,25-26H,2,11-13H2,1H3;;1H2/q;;;;;-1;;+1;/p-1.
What are the key properties of sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide?
sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide has a molecular weight of 3245.97 g/mol, XLogP of 20.96, 57 rotatable bonds, 6 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]chromen-4-one;2-acetyl-5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]chromen-4-one;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-fluoropropoxy]-4-oxochromene-2-carboxylic acid;5-[3-(2-acetyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-2-(oxomethyl)chromen-4-one;1,3-bis[(2-ethyl-4-oxochromen-5-yl)oxy]propan-2-yl acetate;2-ethyl-5-[2-fluoro-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;2-ethyl-5-[2-hydroxy-3-[2-(hydroxymethyl)-4-oxochromen-5-yl]oxypropoxy]chromen-4-one;hydroxide is sourced from PubChem (CID 159698879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).