disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate

C25H18Na2O12 — CID 101477060

IUPACdisodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate
SMILESO=C([O-])c1cc(=O)c2c(OCC(O)CC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]
InChIInChI=1S/C25H20O12.2Na/c26-12(10-34-16-3-1-5-18-22(16)14(28)8-20(36-18)24(30)31)7-13(27)11-35-17-4-2-6-19-23(17)15(29)9-21(37-19)25(32)33;;/h1-6,8-9,12-13,26-27H,7,10-11H2,(H,30,31)(H,32,33);;/q;2*+1/p-2
InChIKeyGFGKAGRSWYIKAH-UHFFFAOYSA-L
MW556.39 g/mol
LogP-6.80
Rot. Bonds10

About disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate

disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate (PubChem CID 101477060) has the molecular formula C25H18Na2O12 and a molecular weight of 556.39 g/mol. Its IUPAC name is disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Namedisodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate
PubChem CID101477060
Molecular FormulaC25H18Na2O12
Molecular Weight556.39 g/mol
Exact Mass556.06
IUPAC Namedisodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate
SMILESO=C([O-])c1cc(=O)c2c(OCC(O)CC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+]
InChIInChI=1S/C25H20O12.2Na/c26-12(10-34-16-3-1-5-18-22(16)14(28)8-20(36-18)24(30)31)7-13(27)11-35-17-4-2-6-19-23(17)15(29)9-21(37-19)25(32)33;;/h1-6,8-9,12-13,26-27H,7,10-11H2,(H,30,31)(H,32,33);;/q;2*+1/p-2
InChIKeyGFGKAGRSWYIKAH-UHFFFAOYSA-L
XLogP-6.80
TPSA199.60 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.39
LogP ≤ 5-6.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate?
The IUPAC name of disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate (CID 101477060) is disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate.
What is the SMILES notation for disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate?
The canonical SMILES for disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate is O=C([O-])c1cc(=O)c2c(OCC(O)CC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+].
What is the InChIKey of disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate?
The InChIKey is GFGKAGRSWYIKAH-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H20O12.2Na/c26-12(10-34-16-3-1-5-18-22(16)14(28)8-20(36-18)24(30)31)7-13(27)11-35-17-4-2-6-19-23(17)15(29)9-21(37-19)25(32)33;;/h1-6,8-9,12-13,26-27H,7,10-11H2,(H,30,31)(H,32,33);;/q;2*+1/p-2.
What are the key properties of disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate?
disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate has a molecular weight of 556.39 g/mol, XLogP of -6.80, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-[5-(2-carboxylato-4-oxochromen-5-yl)oxy-2,4-dihydroxypentoxy]-4-oxochromene-2-carboxylate is sourced from PubChem (CID 101477060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).