pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate

C15H3K5O10 — CID 101297530

IUPACpentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate
SMILESO=C([O-])c1cc2cc(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c2cc1C(=O)[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C15H8O10.5K/c16-11(17)6-1-4-2-8(13(20)21)10(15(24)25)9(14(22)23)5(4)3-7(6)12(18)19;;;;;/h1-3H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25);;;;;/q;5*+1/p-5
InChIKeyJLOKSVPDNCVWTH-UHFFFAOYSA-I
MW538.67 g/mol
LogP-20.32
Rot. Bonds5

About pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate

pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate (PubChem CID 101297530) has the molecular formula C15H3K5O10 and a molecular weight of 538.67 g/mol. Its IUPAC name is pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate.

Molecular Properties

Compound Namepentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate
PubChem CID101297530
Molecular FormulaC15H3K5O10
Molecular Weight538.67 g/mol
Exact Mass537.79
IUPAC Namepentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate
SMILESO=C([O-])c1cc2cc(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c2cc1C(=O)[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C15H8O10.5K/c16-11(17)6-1-4-2-8(13(20)21)10(15(24)25)9(14(22)23)5(4)3-7(6)12(18)19;;;;;/h1-3H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25);;;;;/q;5*+1/p-5
InChIKeyJLOKSVPDNCVWTH-UHFFFAOYSA-I
XLogP-20.32
TPSA200.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.67
LogP ≤ 5-20.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

hexasodium;naphthalene-1,2,3,4,6,7-hexacarboxylate
CID 101297564
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
calcium naphthalene-2,3-dicarboxylate
CID 101297436
dicalcium;benzene-1,2,3,5-tetracarboxylate
CID 101297418
tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
CID 139073121
perylene-1,2-dicarboxylate
CID 22639636
hexapotassium;naphthalene-1,2,3,4,5,6-hexacarboxylate
CID 101297555
2-(5,6-dicarboxylato-1,3-benzodithiol-2-ylidene)-1,3-benzodithiole-5,6-dicarboxylate
CID 122210214
tripotassium;5-acetylbenzene-1,2,4-tricarboxylate;ethane
CID 176556714
disodium;3,5-dichlorophthalate
CID 101143275
sodium 2,4,5-tricarboxybenzoate
CID 100958061
dipotassium;4-methylphthalate
CID 140576906

Frequently Asked Questions

What is the IUPAC name of pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate?
The IUPAC name of pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate (CID 101297530) is pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate.
What is the SMILES notation for pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate?
The canonical SMILES for pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate is O=C([O-])c1cc2cc(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c2cc1C(=O)[O-].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate?
The InChIKey is JLOKSVPDNCVWTH-UHFFFAOYSA-I. The full InChI is InChI=1S/C15H8O10.5K/c16-11(17)6-1-4-2-8(13(20)21)10(15(24)25)9(14(22)23)5(4)3-7(6)12(18)19;;;;;/h1-3H,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25);;;;;/q;5*+1/p-5.
What are the key properties of pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate?
pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate has a molecular weight of 538.67 g/mol, XLogP of -20.32, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentapotassium;naphthalene-1,2,3,6,7-pentacarboxylate is sourced from PubChem (CID 101297530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).