3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)

C6H18O14PdS2Si3 — CID 139211854

IUPAC3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)
SMILESO=S(=O)([O-])CCC[Si](O)(O)O[Si](O)(CCCS(=O)(=O)[O-])O[Si](O)(O)O.[Pd+2]
InChIInChI=1S/C6H20O14S2Si3.Pd/c7-21(8,9)3-1-5-23(13,14)19-24(15,20-25(16,17)18)6-2-4-22(10,11)12;/h13-18H,1-6H2,(H,7,8,9)(H,10,11,12);/q;+2/p-2
InChIKeyPWBISYSCLHLJEX-UHFFFAOYSA-L
MW569.01 g/mol
LogP-4.85
Rot. Bonds12

About 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)

3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+) (PubChem CID 139211854) has the molecular formula C6H18O14PdS2Si3 and a molecular weight of 569.01 g/mol. Its IUPAC name is 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+).

Molecular Properties

Compound Name3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)
PubChem CID139211854
Molecular FormulaC6H18O14PdS2Si3
Molecular Weight569.01 g/mol
Exact Mass567.85
IUPAC Name3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)
SMILESO=S(=O)([O-])CCC[Si](O)(O)O[Si](O)(CCCS(=O)(=O)[O-])O[Si](O)(O)O.[Pd+2]
InChIInChI=1S/C6H20O14S2Si3.Pd/c7-21(8,9)3-1-5-23(13,14)19-24(15,20-25(16,17)18)6-2-4-22(10,11)12;/h13-18H,1-6H2,(H,7,8,9)(H,10,11,12);/q;+2/p-2
InChIKeyPWBISYSCLHLJEX-UHFFFAOYSA-L
XLogP-4.85
TPSA254.24 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500569.01
LogP ≤ 5-4.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)?
The IUPAC name of 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+) (CID 139211854) is 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+).
What is the SMILES notation for 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)?
The canonical SMILES for 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+) is O=S(=O)([O-])CCC[Si](O)(O)O[Si](O)(CCCS(=O)(=O)[O-])O[Si](O)(O)O.[Pd+2].
What is the InChIKey of 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)?
The InChIKey is PWBISYSCLHLJEX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H20O14S2Si3.Pd/c7-21(8,9)3-1-5-23(13,14)19-24(15,20-25(16,17)18)6-2-4-22(10,11)12;/h13-18H,1-6H2,(H,7,8,9)(H,10,11,12);/q;+2/p-2.
What are the key properties of 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)?
3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+) has a molecular weight of 569.01 g/mol, XLogP of -4.85, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+) is sourced from PubChem (CID 139211854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).