strontium bis(2-hydroxyethanesulfonate)

C4H10O8S2Sr — CID 87367145

IUPACstrontium bis(2-hydroxyethanesulfonate)
SMILESO=S(=O)([O-])CCO.O=S(=O)([O-])CCO.[Sr+2]
InChIInChI=1S/2C2H6O4S.Sr/c2*3-1-2-7(4,5)6;/h2*3H,1-2H2,(H,4,5,6);/q;;+2/p-2
InChIKeyPQVRGTMMZOEJBL-UHFFFAOYSA-L
MW337.87 g/mol
LogP-3.33
Rot. Bonds4

About strontium bis(2-hydroxyethanesulfonate)

strontium bis(2-hydroxyethanesulfonate) (PubChem CID 87367145) has the molecular formula C4H10O8S2Sr and a molecular weight of 337.87 g/mol. Its IUPAC name is strontium bis(2-hydroxyethanesulfonate).

Molecular Properties

Compound Namestrontium bis(2-hydroxyethanesulfonate)
PubChem CID87367145
Molecular FormulaC4H10O8S2Sr
Molecular Weight337.87 g/mol
Exact Mass337.89
IUPAC Namestrontium bis(2-hydroxyethanesulfonate)
SMILESO=S(=O)([O-])CCO.O=S(=O)([O-])CCO.[Sr+2]
InChIInChI=1S/2C2H6O4S.Sr/c2*3-1-2-7(4,5)6;/h2*3H,1-2H2,(H,4,5,6);/q;;+2/p-2
InChIKeyPQVRGTMMZOEJBL-UHFFFAOYSA-L
XLogP-3.33
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 5-3.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze strontium bis(2-hydroxyethanesulfonate) 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

2-hydroxyethanesulfonate
CID 18931617
strontium ethane-1,2-disulfonate
CID 87366284
calcium bis(3-hydroxypropane-1-sulfonate)
CID 162170471
dilithium;ethane-1,2-disulfonate
CID 87246309
sodium;3-hydroxypropane-1-sulfonate;hydrate
CID 141444099
zinc bis(4-hydroxybutane-1-sulfonate)
CID 88712471
sodium 16-hydroxyhexadecane-1-sulfonate
CID 87381218
sodium 12-hydroxydodecane-1-sulfonate
CID 87381250
dilithium;ethane-1,2-diol;sulfate
CID 162076441
ethane-1,2-disulfonate;silver
CID 87079782
diazanium;ethane-1,2-diol;sulfate
CID 21328662
disodium;ethane-1,2-diol;sulfate
CID 158719389

Frequently Asked Questions

What is the IUPAC name of strontium bis(2-hydroxyethanesulfonate)?
The IUPAC name of strontium bis(2-hydroxyethanesulfonate) (CID 87367145) is strontium bis(2-hydroxyethanesulfonate).
What is the SMILES notation for strontium bis(2-hydroxyethanesulfonate)?
The canonical SMILES for strontium bis(2-hydroxyethanesulfonate) is O=S(=O)([O-])CCO.O=S(=O)([O-])CCO.[Sr+2].
What is the InChIKey of strontium bis(2-hydroxyethanesulfonate)?
The InChIKey is PQVRGTMMZOEJBL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6O4S.Sr/c2*3-1-2-7(4,5)6;/h2*3H,1-2H2,(H,4,5,6);/q;;+2/p-2.
What are the key properties of strontium bis(2-hydroxyethanesulfonate)?
strontium bis(2-hydroxyethanesulfonate) has a molecular weight of 337.87 g/mol, XLogP of -3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(2-hydroxyethanesulfonate) is sourced from PubChem (CID 87367145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).