hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate

C16H2K6O12 — CID 101297555

IUPAChexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate
SMILESO=C([O-])c1ccc2c(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c2c1C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C16H8O12.6K/c17-11(18)4-2-1-3-5(7(4)13(21)22)8(14(23)24)10(16(27)28)9(15(25)26)6(3)12(19)20;;;;;;/h1-2H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28);;;;;;/q;6*+1/p-6
InChIKeyBTKVJHYTCFWCAE-UHFFFAOYSA-H
MW620.77 g/mol
LogP-24.96
Rot. Bonds6

About hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate

hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate (PubChem CID 101297555) has the molecular formula C16H2K6O12 and a molecular weight of 620.77 g/mol. Its IUPAC name is hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate.

Molecular Properties

Compound Namehexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate
PubChem CID101297555
Molecular FormulaC16H2K6O12
Molecular Weight620.77 g/mol
Exact Mass619.74
IUPAC Namehexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate
SMILESO=C([O-])c1ccc2c(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c2c1C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C16H8O12.6K/c17-11(18)4-2-1-3-5(7(4)13(21)22)8(14(23)24)10(16(27)28)9(15(25)26)6(3)12(19)20;;;;;;/h1-2H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28);;;;;;/q;6*+1/p-6
InChIKeyBTKVJHYTCFWCAE-UHFFFAOYSA-H
XLogP-24.96
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.77
LogP ≤ 5-24.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tetrasodium;naphthalene-1,2,5,8-tetracarboxylate
CID 101297492
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
hexasodium;naphthalene-1,2,3,4,6,7-hexacarboxylate
CID 101297564
dipotassium;naphthalene-1,4-dicarboxylate
CID 101297429
trimagnesium bis(benzene-1,2,3-tricarboxylate)
CID 67068179
bis(iron(3+));tris(naphthalene-1,2-dicarboxylate)
CID 67068173
pentasodium;naphthalene-1,2,3,4,6-pentacarboxylate
CID 101297517
pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate
CID 101297530
2,3-bis(prop-1-en-2-yl)terephthalate
CID 22222062
tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate
CID 160940580
trisodium;4-propan-2-ylbenzene-1,2,3-tricarboxylate
CID 67715339
disodium;3,4-diethylphthalate
CID 140970189

Frequently Asked Questions

What is the IUPAC name of hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate?
The IUPAC name of hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate (CID 101297555) is hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate.
What is the SMILES notation for hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate?
The canonical SMILES for hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate is O=C([O-])c1ccc2c(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c2c1C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate?
The InChIKey is BTKVJHYTCFWCAE-UHFFFAOYSA-H. The full InChI is InChI=1S/C16H8O12.6K/c17-11(18)4-2-1-3-5(7(4)13(21)22)8(14(23)24)10(16(27)28)9(15(25)26)6(3)12(19)20;;;;;;/h1-2H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28);;;;;;/q;6*+1/p-6.
What are the key properties of hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate?
hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate has a molecular weight of 620.77 g/mol, XLogP of -24.96, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate is sourced from PubChem (CID 101297555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).