tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate

C8H2Na4O9 — CID 22623777

IUPACtetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate
SMILESO=C([O-])C1=C(C(=O)[O-])C(C(=O)[O-])OC1C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H6O9.4Na/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14;;;;/h3-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16);;;;/q;4*+1/p-4
InChIKeyQFKFSQYSBMCRMV-UHFFFAOYSA-J
MW334.06 g/mol
LogP-18.93
Rot. Bonds4

About tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate

tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate (PubChem CID 22623777) has the molecular formula C8H2Na4O9 and a molecular weight of 334.06 g/mol. Its IUPAC name is tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate.

Molecular Properties

Compound Nametetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate
PubChem CID22623777
Molecular FormulaC8H2Na4O9
Molecular Weight334.06 g/mol
Exact Mass333.93
IUPAC Nametetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate
SMILESO=C([O-])C1=C(C(=O)[O-])C(C(=O)[O-])OC1C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H6O9.4Na/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14;;;;/h3-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16);;;;/q;4*+1/p-4
InChIKeyQFKFSQYSBMCRMV-UHFFFAOYSA-J
XLogP-18.93
TPSA169.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.06
LogP ≤ 5-18.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate?
The IUPAC name of tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate (CID 22623777) is tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate.
What is the SMILES notation for tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate?
The canonical SMILES for tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate is O=C([O-])C1=C(C(=O)[O-])C(C(=O)[O-])OC1C(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate?
The InChIKey is QFKFSQYSBMCRMV-UHFFFAOYSA-J. The full InChI is InChI=1S/C8H6O9.4Na/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14;;;;/h3-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16);;;;/q;4*+1/p-4.
What are the key properties of tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate?
tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate has a molecular weight of 334.06 g/mol, XLogP of -18.93, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2,5-dihydrofuran-2,3,4,5-tetracarboxylate is sourced from PubChem (CID 22623777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).