dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate

C10H6K2O7S2 — CID 101310198

IUPACdipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1cc2ccc([O-])cc2cc1S(=O)(=O)O.[K+].[K+]
InChIInChI=1S/C10H8O7S2.2K/c11-8-2-1-6-4-9(18(12,13)14)10(19(15,16)17)5-7(6)3-8;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyLDGVAHPHZCPDFW-UHFFFAOYSA-L
MW380.48 g/mol
LogP-5.93
Rot. Bonds2

About dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate

dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate (PubChem CID 101310198) has the molecular formula C10H6K2O7S2 and a molecular weight of 380.48 g/mol. Its IUPAC name is dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate.

Molecular Properties

Compound Namedipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate
PubChem CID101310198
Molecular FormulaC10H6K2O7S2
Molecular Weight380.48 g/mol
Exact Mass379.88
IUPAC Namedipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1cc2ccc([O-])cc2cc1S(=O)(=O)O.[K+].[K+]
InChIInChI=1S/C10H8O7S2.2K/c11-8-2-1-6-4-9(18(12,13)14)10(19(15,16)17)5-7(6)3-8;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyLDGVAHPHZCPDFW-UHFFFAOYSA-L
XLogP-5.93
TPSA134.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 5-5.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate?
The IUPAC name of dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate (CID 101310198) is dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate.
What is the SMILES notation for dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate?
The canonical SMILES for dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate is O=S(=O)([O-])c1cc2ccc([O-])cc2cc1S(=O)(=O)O.[K+].[K+].
What is the InChIKey of dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate?
The InChIKey is LDGVAHPHZCPDFW-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O7S2.2K/c11-8-2-1-6-4-9(18(12,13)14)10(19(15,16)17)5-7(6)3-8;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2.
What are the key properties of dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate?
dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate has a molecular weight of 380.48 g/mol, XLogP of -5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;6-oxido-3-sulfonaphthalene-2-sulfonate is sourced from PubChem (CID 101310198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).