tripotassium;naphthalene-1,3,5-trisulfonate

C10H5K3O9S3 — CID 22486367

IUPACtripotassium;naphthalene-1,3,5-trisulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[K+].[K+].[K+]
InChIInChI=1S/C10H8O9S3.3K/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3
InChIKeySYWQVXCKJWJAFK-UHFFFAOYSA-K
MW482.64 g/mol
LogP-9.44
Rot. Bonds3

About tripotassium;naphthalene-1,3,5-trisulfonate

tripotassium;naphthalene-1,3,5-trisulfonate (PubChem CID 22486367) has the molecular formula C10H5K3O9S3 and a molecular weight of 482.64 g/mol. Its IUPAC name is tripotassium;naphthalene-1,3,5-trisulfonate.

Molecular Properties

Compound Nametripotassium;naphthalene-1,3,5-trisulfonate
PubChem CID22486367
Molecular FormulaC10H5K3O9S3
Molecular Weight482.64 g/mol
Exact Mass481.80
IUPAC Nametripotassium;naphthalene-1,3,5-trisulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[K+].[K+].[K+]
InChIInChI=1S/C10H8O9S3.3K/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3
InChIKeySYWQVXCKJWJAFK-UHFFFAOYSA-K
XLogP-9.44
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.64
LogP ≤ 5-9.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

dilithium;3-methylnaphthalene-1,5-disulfonate
CID 140636726
3-methylnaphthalene-1,5-disulfonate
CID 58611257
3-nitronaphthalene-1,5-disulfonate
CID 56772282
5-sulfonaphthalene-1-sulfonate
CID 3517121
disodium;naphthalene-1,6-disulfonate
CID 45358177
5-azaniumylnaphthalene-1-sulfonate;hydrate
CID 139060322
calcium bis(5-methylnaphthalene-1-sulfonate)
CID 101317270
3-amino-5-sulfonaphthalene-1-sulfonate
CID 5143627
disodium;anthracene-1,5-disulfonate
CID 87786614
tripotassium;benzene-1,2,3-trisulfonate
CID 139908271
dipotassium;2-methylnaphthalene-1,5-disulfonate
CID 20739196
dipotassium;6-aminonaphthalene-1,3-disulfonate
CID 2762591

Frequently Asked Questions

What is the IUPAC name of tripotassium;naphthalene-1,3,5-trisulfonate?
The IUPAC name of tripotassium;naphthalene-1,3,5-trisulfonate (CID 22486367) is tripotassium;naphthalene-1,3,5-trisulfonate.
What is the SMILES notation for tripotassium;naphthalene-1,3,5-trisulfonate?
The canonical SMILES for tripotassium;naphthalene-1,3,5-trisulfonate is O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cccc(S(=O)(=O)[O-])c2c1.[K+].[K+].[K+].
What is the InChIKey of tripotassium;naphthalene-1,3,5-trisulfonate?
The InChIKey is SYWQVXCKJWJAFK-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H8O9S3.3K/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3.
What are the key properties of tripotassium;naphthalene-1,3,5-trisulfonate?
tripotassium;naphthalene-1,3,5-trisulfonate has a molecular weight of 482.64 g/mol, XLogP of -9.44, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;naphthalene-1,3,5-trisulfonate is sourced from PubChem (CID 22486367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).