trihydroxy-(4-sulfophenyl)phosphanium

C6H8O6PS+ — CID 23415206

IUPACtrihydroxy-(4-sulfophenyl)phosphanium
SMILESO=S(=O)(O)c1ccc([P+](O)(O)O)cc1
InChIInChI=1S/C6H7O6PS/c7-13(8,9)5-1-3-6(4-2-5)14(10,11)12/h1-4,7-9H/p+1
InChIKeyJJUNFROSWPBYKV-UHFFFAOYSA-O
MW239.16 g/mol
LogP-0.70
Rot. Bonds2

About trihydroxy-(4-sulfophenyl)phosphanium

trihydroxy-(4-sulfophenyl)phosphanium (PubChem CID 23415206) has the molecular formula C6H8O6PS+ and a molecular weight of 239.16 g/mol. Its IUPAC name is trihydroxy-(4-sulfophenyl)phosphanium.

Molecular Properties

Compound Nametrihydroxy-(4-sulfophenyl)phosphanium
PubChem CID23415206
Molecular FormulaC6H8O6PS+
Molecular Weight239.16 g/mol
Exact Mass238.98
IUPAC Nametrihydroxy-(4-sulfophenyl)phosphanium
SMILESO=S(=O)(O)c1ccc([P+](O)(O)O)cc1
InChIInChI=1S/C6H7O6PS/c7-13(8,9)5-1-3-6(4-2-5)14(10,11)12/h1-4,7-9H/p+1
InChIKeyJJUNFROSWPBYKV-UHFFFAOYSA-O
XLogP-0.70
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-sulfophenyl)benzenesulfonic acid;dihydrochloride
CID 88734804
sodium 4-(4-sulfophenyl)benzenesulfonic acid
CID 3084525
CID 131880553
CID 131880553
4-methylbenzenesulfonic acid
CID 157221593
bis(4-hydroxybenzenesulfonic acid);zinc
CID 87093741
4-(1-hydroxy-2-sulfanylethyl)benzenesulfonic acid
CID 176916176
benzenesulfonic acid
CID 87196622
sodium (4-sulfobenzoyl)azanide
CID 140977199
4-sulfobenzenediazonium bromide
CID 11010880
indigane;4-iodobenzenesulfonic acid
CID 173230358
cadmium;4-chlorobenzenesulfonic acid
CID 54603804
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042

Frequently Asked Questions

What is the IUPAC name of trihydroxy-(4-sulfophenyl)phosphanium?
The IUPAC name of trihydroxy-(4-sulfophenyl)phosphanium (CID 23415206) is trihydroxy-(4-sulfophenyl)phosphanium.
What is the SMILES notation for trihydroxy-(4-sulfophenyl)phosphanium?
The canonical SMILES for trihydroxy-(4-sulfophenyl)phosphanium is O=S(=O)(O)c1ccc([P+](O)(O)O)cc1.
What is the InChIKey of trihydroxy-(4-sulfophenyl)phosphanium?
The InChIKey is JJUNFROSWPBYKV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7O6PS/c7-13(8,9)5-1-3-6(4-2-5)14(10,11)12/h1-4,7-9H/p+1.
What are the key properties of trihydroxy-(4-sulfophenyl)phosphanium?
trihydroxy-(4-sulfophenyl)phosphanium has a molecular weight of 239.16 g/mol, XLogP of -0.70, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(4-sulfophenyl)phosphanium is sourced from PubChem (CID 23415206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).