3-phosphonopropane-1-sulfonic acid;zirconium

C3H9O6PSZr — CID 88753300

IUPAC3-phosphonopropane-1-sulfonic acid;zirconium
SMILESO=P(O)(O)CCCS(=O)(=O)O.[Zr]
InChIInChI=1S/C3H9O6PS.Zr/c4-10(5,6)2-1-3-11(7,8)9;/h1-3H2,(H2,4,5,6)(H,7,8,9);
InChIKeyZQKDDIGCYUKLBO-UHFFFAOYSA-N
MW295.36 g/mol
LogP-0.56
Rot. Bonds4

About 3-phosphonopropane-1-sulfonic acid;zirconium

3-phosphonopropane-1-sulfonic acid;zirconium (PubChem CID 88753300) has the molecular formula C3H9O6PSZr and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-phosphonopropane-1-sulfonic acid;zirconium.

Molecular Properties

Compound Name3-phosphonopropane-1-sulfonic acid;zirconium
PubChem CID88753300
Molecular FormulaC3H9O6PSZr
Molecular Weight295.36 g/mol
Exact Mass293.89
IUPAC Name3-phosphonopropane-1-sulfonic acid;zirconium
SMILESO=P(O)(O)CCCS(=O)(=O)O.[Zr]
InChIInChI=1S/C3H9O6PS.Zr/c4-10(5,6)2-1-3-11(7,8)9;/h1-3H2,(H2,4,5,6)(H,7,8,9);
InChIKeyZQKDDIGCYUKLBO-UHFFFAOYSA-N
XLogP-0.56
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-phosphonopropane-1-sulfonic acid;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-phosphonopentylphosphonic acid
CID 2773804
octane-1,8-disulfonic acid
CID 18172926
CID 88853027
CID 88853027
pentane-1,5-disulfonic acid;hydrate
CID 133062445
butane-1,4-disulfonic acid;ethene
CID 173210763
3-[diphosphonomethyl(methyl)amino]propane-1-sulfonic acid
CID 88769209
5-hydroxy-5,5-diphosphonopentane-1-sulfonic acid
CID 19091195
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
2-aminoethanesulfonic acid;phosphoric acid
CID 174528492
3-amino-3,3-diphosphonopropane-1-sulfonic acid
CID 18756970

Frequently Asked Questions

What is the IUPAC name of 3-phosphonopropane-1-sulfonic acid;zirconium?
The IUPAC name of 3-phosphonopropane-1-sulfonic acid;zirconium (CID 88753300) is 3-phosphonopropane-1-sulfonic acid;zirconium.
What is the SMILES notation for 3-phosphonopropane-1-sulfonic acid;zirconium?
The canonical SMILES for 3-phosphonopropane-1-sulfonic acid;zirconium is O=P(O)(O)CCCS(=O)(=O)O.[Zr].
What is the InChIKey of 3-phosphonopropane-1-sulfonic acid;zirconium?
The InChIKey is ZQKDDIGCYUKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O6PS.Zr/c4-10(5,6)2-1-3-11(7,8)9;/h1-3H2,(H2,4,5,6)(H,7,8,9);.
What are the key properties of 3-phosphonopropane-1-sulfonic acid;zirconium?
3-phosphonopropane-1-sulfonic acid;zirconium has a molecular weight of 295.36 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphonopropane-1-sulfonic acid;zirconium is sourced from PubChem (CID 88753300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).