hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate

C17K6O17 — CID 173436276

IUPAChexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate
SMILESO=C([O-])C(=O)c1c(C(=O)[O-])c(C(=O)C(=O)[O-])c(C(=O)C(=O)[O-])c(C(=O)C(=O)[O-])c1C(=O)C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C17H6O17.6K/c18-7(13(25)26)1-2(8(19)14(27)28)4(10(21)16(31)32)6(12(23)24)5(11(22)17(33)34)3(1)9(20)15(29)30;;;;;;/h(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34);;;;;;/q;6*+1/p-6
InChIKeyFOYMPBVSXBPSBO-UHFFFAOYSA-H
MW710.76 g/mol
LogP-28.26
Rot. Bonds11

About hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate

hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate (PubChem CID 173436276) has the molecular formula C17K6O17 and a molecular weight of 710.76 g/mol. Its IUPAC name is hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate.

Molecular Properties

Compound Namehexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate
PubChem CID173436276
Molecular FormulaC17K6O17
Molecular Weight710.76 g/mol
Exact Mass709.70
IUPAC Namehexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate
SMILESO=C([O-])C(=O)c1c(C(=O)[O-])c(C(=O)C(=O)[O-])c(C(=O)C(=O)[O-])c(C(=O)C(=O)[O-])c1C(=O)C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C17H6O17.6K/c18-7(13(25)26)1-2(8(19)14(27)28)4(10(21)16(31)32)6(12(23)24)5(11(22)17(33)34)3(1)9(20)15(29)30;;;;;;/h(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34);;;;;;/q;6*+1/p-6
InChIKeyFOYMPBVSXBPSBO-UHFFFAOYSA-H
XLogP-28.26
TPSA326.13 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.76
LogP ≤ 5-28.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

3,5,6-tris(prop-1-en-2-yl)benzene-1,2,4-tricarboxylate
CID 19973295
2,3,5,6-tetraiodoterephthalate
CID 18993874
calcium 3,4,5,6-tetrachlorophthalate
CID 22119341
bis(iron(3+));tris(2,3,5,6-tetramethylterephthalate)
CID 160653230
2,3,4,5,6-pentaiodobenzoate
CID 140821752
disodium;3,4,5,6-tetraiodophthalate
CID 21150477
hexasodium;naphthalene-1,2,3,4,6,7-hexacarboxylate
CID 101297564
hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate
CID 101297555
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
sodium;2,3,4,5,6-pentafluorobenzoate;hydrate
CID 155734252
potassium;sodium;5-amino-2,4,6-triiodobenzene-1,3-dicarboxylate
CID 168867628
dipotassium;terephthalate
CID 25981

Frequently Asked Questions

What is the IUPAC name of hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate?
The IUPAC name of hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate (CID 173436276) is hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate.
What is the SMILES notation for hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate?
The canonical SMILES for hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate is O=C([O-])C(=O)c1c(C(=O)[O-])c(C(=O)C(=O)[O-])c(C(=O)C(=O)[O-])c(C(=O)C(=O)[O-])c1C(=O)C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate?
The InChIKey is FOYMPBVSXBPSBO-UHFFFAOYSA-H. The full InChI is InChI=1S/C17H6O17.6K/c18-7(13(25)26)1-2(8(19)14(27)28)4(10(21)16(31)32)6(12(23)24)5(11(22)17(33)34)3(1)9(20)15(29)30;;;;;;/h(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34);;;;;;/q;6*+1/p-6.
What are the key properties of hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate?
hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate has a molecular weight of 710.76 g/mol, XLogP of -28.26, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for hexapotassium;2,3,4,5,6-pentakis(carboxylatoformyl)benzoate is sourced from PubChem (CID 173436276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).