dipotassium;lead(2+);4-sulfophthalate;carbonate

C9H4K2O10PbS — CID 173410108

IUPACdipotassium;lead(2+);4-sulfophthalate;carbonate
SMILESO=C([O-])[O-].O=C([O-])c1ccc(S(=O)(=O)O)cc1C(=O)[O-].[K+].[K+].[Pb+2]
InChIInChI=1S/C8H6O7S.CH2O3.2K.Pb/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;2-1(3)4;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);(H2,2,3,4);;;/q;;2*+1;+2/p-4
InChIKeyHMQHDCYLQKPCPY-UHFFFAOYSA-J
MW589.58 g/mol
LogP-11.16
Rot. Bonds3

About dipotassium;lead(2+);4-sulfophthalate;carbonate

dipotassium;lead(2+);4-sulfophthalate;carbonate (PubChem CID 173410108) has the molecular formula C9H4K2O10PbS and a molecular weight of 589.58 g/mol. Its IUPAC name is dipotassium;lead(2+);4-sulfophthalate;carbonate.

Molecular Properties

Compound Namedipotassium;lead(2+);4-sulfophthalate;carbonate
PubChem CID173410108
Molecular FormulaC9H4K2O10PbS
Molecular Weight589.58 g/mol
Exact Mass589.86
IUPAC Namedipotassium;lead(2+);4-sulfophthalate;carbonate
SMILESO=C([O-])[O-].O=C([O-])c1ccc(S(=O)(=O)O)cc1C(=O)[O-].[K+].[K+].[Pb+2]
InChIInChI=1S/C8H6O7S.CH2O3.2K.Pb/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;2-1(3)4;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);(H2,2,3,4);;;/q;;2*+1;+2/p-4
InChIKeyHMQHDCYLQKPCPY-UHFFFAOYSA-J
XLogP-11.16
TPSA197.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.58
LogP ≤ 5-11.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 2-carboxy-5-sulfobenzoate
CID 23686671
potassium 2-amino-5-sulfobenzoate
CID 101305590
trisodium;4-sulfonatophthalate
CID 169446663
4-sulfophthalic acid;trihydrochloride
CID 173375578
disodium bis(2-nitro-5-sulfobenzoate)
CID 166065535
2-(2-carboxy-4-sulfophenyl)-5-sulfobenzoic acid
CID 178078504
dipotassium;4-(4-carboxylato-3-sulfophenyl)-2-sulfobenzoate
CID 141467983
dipotassium;3-amino-2-oxido-5-sulfobenzoate
CID 101305673
potassium 3,5-disulfobenzoate
CID 163417377
dipotassium;4-methylphthalate
CID 140576906
tetraazanium;benzene-1,2,4,5-tetracarboxylate;dihydrate
CID 139073121
disodium;hydride;2-hydroxy-5-sulfobenzoic acid
CID 173215805

Frequently Asked Questions

What is the IUPAC name of dipotassium;lead(2+);4-sulfophthalate;carbonate?
The IUPAC name of dipotassium;lead(2+);4-sulfophthalate;carbonate (CID 173410108) is dipotassium;lead(2+);4-sulfophthalate;carbonate.
What is the SMILES notation for dipotassium;lead(2+);4-sulfophthalate;carbonate?
The canonical SMILES for dipotassium;lead(2+);4-sulfophthalate;carbonate is O=C([O-])[O-].O=C([O-])c1ccc(S(=O)(=O)O)cc1C(=O)[O-].[K+].[K+].[Pb+2].
What is the InChIKey of dipotassium;lead(2+);4-sulfophthalate;carbonate?
The InChIKey is HMQHDCYLQKPCPY-UHFFFAOYSA-J. The full InChI is InChI=1S/C8H6O7S.CH2O3.2K.Pb/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;2-1(3)4;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);(H2,2,3,4);;;/q;;2*+1;+2/p-4.
What are the key properties of dipotassium;lead(2+);4-sulfophthalate;carbonate?
dipotassium;lead(2+);4-sulfophthalate;carbonate has a molecular weight of 589.58 g/mol, XLogP of -11.16, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;lead(2+);4-sulfophthalate;carbonate is sourced from PubChem (CID 173410108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).