dysprosium(3+);ethyl sulfate

C6H15DyO12S3 — CID 57346753

IUPACdysprosium(3+);ethyl sulfate
SMILESCCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Dy+3]
InChIInChI=1S/3C2H6O4S.Dy/c3*1-2-6-7(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3
InChIKeyVTLNMKBUEUTWFW-UHFFFAOYSA-K
MW537.88 g/mol
LogP-1.55
Rot. Bonds6

About dysprosium(3+);ethyl sulfate

dysprosium(3+);ethyl sulfate (PubChem CID 57346753) has the molecular formula C6H15DyO12S3 and a molecular weight of 537.88 g/mol. Its IUPAC name is dysprosium(3+);ethyl sulfate.

Molecular Properties

Compound Namedysprosium(3+);ethyl sulfate
PubChem CID57346753
Molecular FormulaC6H15DyO12S3
Molecular Weight537.88 g/mol
Exact Mass538.90
IUPAC Namedysprosium(3+);ethyl sulfate
SMILESCCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Dy+3]
InChIInChI=1S/3C2H6O4S.Dy/c3*1-2-6-7(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3
InChIKeyVTLNMKBUEUTWFW-UHFFFAOYSA-K
XLogP-1.55
TPSA199.29 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.88
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dysprosium(3+);ethyl sulfate?
The IUPAC name of dysprosium(3+);ethyl sulfate (CID 57346753) is dysprosium(3+);ethyl sulfate.
What is the SMILES notation for dysprosium(3+);ethyl sulfate?
The canonical SMILES for dysprosium(3+);ethyl sulfate is CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Dy+3].
What is the InChIKey of dysprosium(3+);ethyl sulfate?
The InChIKey is VTLNMKBUEUTWFW-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H6O4S.Dy/c3*1-2-6-7(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3.
What are the key properties of dysprosium(3+);ethyl sulfate?
dysprosium(3+);ethyl sulfate has a molecular weight of 537.88 g/mol, XLogP of -1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dysprosium(3+);ethyl sulfate is sourced from PubChem (CID 57346753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).