disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride

C25H22Na2O10 — CID 173065501

IUPACdisodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride
SMILESO=C(O)c1cc(=O)c2c(OCCCCCOc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C25H20O10.2Na.2H/c26-14-12-20(24(28)29)34-18-8-4-6-16(22(14)18)32-10-2-1-3-11-33-17-7-5-9-19-23(17)15(27)13-21(35-19)25(30)31;;;;/h4-9,12-13H,1-3,10-11H2,(H,28,29)(H,30,31);;;;/q;2*+1;2*-1
InChIKeyHYXGBVPZOOCOKR-UHFFFAOYSA-N
MW528.42 g/mol
LogP-1.84
Rot. Bonds10

About disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride

disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride (PubChem CID 173065501) has the molecular formula C25H22Na2O10 and a molecular weight of 528.42 g/mol. Its IUPAC name is disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride.

Molecular Properties

Compound Namedisodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride
PubChem CID173065501
Molecular FormulaC25H22Na2O10
Molecular Weight528.42 g/mol
Exact Mass528.10
IUPAC Namedisodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride
SMILESO=C(O)c1cc(=O)c2c(OCCCCCOc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C25H20O10.2Na.2H/c26-14-12-20(24(28)29)34-18-8-4-6-16(22(14)18)32-10-2-1-3-11-33-17-7-5-9-19-23(17)15(27)13-21(35-19)25(30)31;;;;/h4-9,12-13H,1-3,10-11H2,(H,28,29)(H,30,31);;;;/q;2*+1;2*-1
InChIKeyHYXGBVPZOOCOKR-UHFFFAOYSA-N
XLogP-1.84
TPSA153.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.42
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride?
The IUPAC name of disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride (CID 173065501) is disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride.
What is the SMILES notation for disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride?
The canonical SMILES for disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride is O=C(O)c1cc(=O)c2c(OCCCCCOc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride?
The InChIKey is HYXGBVPZOOCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O10.2Na.2H/c26-14-12-20(24(28)29)34-18-8-4-6-16(22(14)18)32-10-2-1-3-11-33-17-7-5-9-19-23(17)15(27)13-21(35-19)25(30)31;;;;/h4-9,12-13H,1-3,10-11H2,(H,28,29)(H,30,31);;;;/q;2*+1;2*-1.
What are the key properties of disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride?
disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride has a molecular weight of 528.42 g/mol, XLogP of -1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-[5-(2-carboxy-4-oxochromen-5-yl)oxypentoxy]-4-oxochromene-2-carboxylic acid;hydride is sourced from PubChem (CID 173065501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).