ethenesulfonate;holmium(3+)

C6H9HoO9S3 — CID 163217157

IUPACethenesulfonate;holmium(3+)
SMILESC=CS(=O)(=O)[O-].C=CS(=O)(=O)[O-].C=CS(=O)(=O)[O-].[Ho+3]
InChIInChI=1S/3C2H4O3S.Ho/c3*1-2-6(3,4)5;/h3*2H,1H2,(H,3,4,5);/q;;;+3/p-3
InChIKeyIMOALSITJVJYDP-UHFFFAOYSA-K
MW486.26 g/mol
LogP-0.97
Rot. Bonds3

About ethenesulfonate;holmium(3+)

ethenesulfonate;holmium(3+) (PubChem CID 163217157) has the molecular formula C6H9HoO9S3 and a molecular weight of 486.26 g/mol. Its IUPAC name is ethenesulfonate;holmium(3+).

Molecular Properties

Compound Nameethenesulfonate;holmium(3+)
PubChem CID163217157
Molecular FormulaC6H9HoO9S3
Molecular Weight486.26 g/mol
Exact Mass485.87
IUPAC Nameethenesulfonate;holmium(3+)
SMILESC=CS(=O)(=O)[O-].C=CS(=O)(=O)[O-].C=CS(=O)(=O)[O-].[Ho+3]
InChIInChI=1S/3C2H4O3S.Ho/c3*1-2-6(3,4)5;/h3*2H,1H2,(H,3,4,5);/q;;;+3/p-3
InChIKeyIMOALSITJVJYDP-UHFFFAOYSA-K
XLogP-0.97
TPSA171.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethenesulfonate;rubidium(1+)
CID 140700043
potassium ethenesulfonate
CID 23693598
but-3-enamide;ethenesulfonate
CID 86736729
disodium;buta-1,3-diene;sulfate
CID 175307386
sodium;ethenesulfonate;N-ethenylacetamide
CID 23715190
disodium;prop-1-ene;sulfate
CID 172734907
sodium;ethenesulfonic acid;hydride;hydrate
CID 174630321
tetrakis(ethenyl)-λ4-sulfane
CID 88531359
sodium;ethenesulfonate;2-hydroxyethyl prop-2-enoate
CID 159658486
ethenesulfonamide
CID 520075
prop-2-enoate sulfate
CID 18971000
hexadecasilver;octasulfate
CID 174664647

Frequently Asked Questions

What is the IUPAC name of ethenesulfonate;holmium(3+)?
The IUPAC name of ethenesulfonate;holmium(3+) (CID 163217157) is ethenesulfonate;holmium(3+).
What is the SMILES notation for ethenesulfonate;holmium(3+)?
The canonical SMILES for ethenesulfonate;holmium(3+) is C=CS(=O)(=O)[O-].C=CS(=O)(=O)[O-].C=CS(=O)(=O)[O-].[Ho+3].
What is the InChIKey of ethenesulfonate;holmium(3+)?
The InChIKey is IMOALSITJVJYDP-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H4O3S.Ho/c3*1-2-6(3,4)5;/h3*2H,1H2,(H,3,4,5);/q;;;+3/p-3.
What are the key properties of ethenesulfonate;holmium(3+)?
ethenesulfonate;holmium(3+) has a molecular weight of 486.26 g/mol, XLogP of -0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethenesulfonate;holmium(3+) is sourced from PubChem (CID 163217157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).