disodium;ethane-1,2-diol;sulfate

C2H6Na2O6S — CID 158719389

IUPACdisodium;ethane-1,2-diol;sulfate
SMILESO=S(=O)([O-])[O-].OCCO.[Na+].[Na+]
InChIInChI=1S/C2H6O2.2Na.H2O4S/c3-1-2-4;;;1-5(2,3)4/h3-4H,1-2H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyIJSIPXLTAZUBAG-UHFFFAOYSA-L
MW204.11 g/mol
LogP-8.36
Rot. Bonds1

About disodium;ethane-1,2-diol;sulfate

disodium;ethane-1,2-diol;sulfate (PubChem CID 158719389) has the molecular formula C2H6Na2O6S and a molecular weight of 204.11 g/mol. Its IUPAC name is disodium;ethane-1,2-diol;sulfate.

Molecular Properties

Compound Namedisodium;ethane-1,2-diol;sulfate
PubChem CID158719389
Molecular FormulaC2H6Na2O6S
Molecular Weight204.11 g/mol
Exact Mass203.97
IUPAC Namedisodium;ethane-1,2-diol;sulfate
SMILESO=S(=O)([O-])[O-].OCCO.[Na+].[Na+]
InChIInChI=1S/C2H6O2.2Na.H2O4S/c3-1-2-4;;;1-5(2,3)4/h3-4H,1-2H2;;;(H2,1,2,3,4)/q;2*+1;/p-2
InChIKeyIJSIPXLTAZUBAG-UHFFFAOYSA-L
XLogP-8.36
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 5-8.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze disodium;ethane-1,2-diol;sulfate 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

dilithium;ethane-1,2-diol;sulfate
CID 162076441
diazanium;ethane-1,2-diol;sulfate
CID 21328662
hydroxymethylazanium;sulfate
CID 161009547
hexasodium;pentane-1,3,5-triol;trisulfate
CID 173024311
tetrasodium;sulfuric acid;disulfate
CID 172828652
sodium;sulfuric acid;sulfate
CID 19758473
sodium;sulfate;heptahydrate
CID 18522796
trisodium;bromide;sulfate
CID 173076247
copper;tetrasodium;trisulfate
CID 158226440
disodium;disulfate;hydrate
CID 20976610
sodium;rhodium(3+);disulfate
CID 172743239
disodium;sulfate;hydrofluoride
CID 158781826

Frequently Asked Questions

What is the IUPAC name of disodium;ethane-1,2-diol;sulfate?
The IUPAC name of disodium;ethane-1,2-diol;sulfate (CID 158719389) is disodium;ethane-1,2-diol;sulfate.
What is the SMILES notation for disodium;ethane-1,2-diol;sulfate?
The canonical SMILES for disodium;ethane-1,2-diol;sulfate is O=S(=O)([O-])[O-].OCCO.[Na+].[Na+].
What is the InChIKey of disodium;ethane-1,2-diol;sulfate?
The InChIKey is IJSIPXLTAZUBAG-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6O2.2Na.H2O4S/c3-1-2-4;;;1-5(2,3)4/h3-4H,1-2H2;;;(H2,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of disodium;ethane-1,2-diol;sulfate?
disodium;ethane-1,2-diol;sulfate has a molecular weight of 204.11 g/mol, XLogP of -8.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethane-1,2-diol;sulfate is sourced from PubChem (CID 158719389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).