calcium;bis(dysprosium(3+));hydride;trisulfate

H2CaDy2O12S3 — CID 173441123

IUPACcalcium;bis(dysprosium(3+));hydride;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[Dy+3].[Dy+3].[H-].[H-]
InChIInChI=1S/Ca.2Dy.3H2O4S.2H/c;;;3*1-5(2,3)4;;/h;;;3*(H2,1,2,3,4);;/q+2;2*+3;;;;2*-1/p-6
InChIKeyUSYYILJXLGRHBW-UHFFFAOYSA-H
MW655.28 g/mol
LogP-4.17
Rot. Bonds

About calcium;bis(dysprosium(3+));hydride;trisulfate

calcium;bis(dysprosium(3+));hydride;trisulfate (PubChem CID 173441123) has the molecular formula H2CaDy2O12S3 and a molecular weight of 655.28 g/mol. Its IUPAC name is calcium;bis(dysprosium(3+));hydride;trisulfate.

Molecular Properties

Compound Namecalcium;bis(dysprosium(3+));hydride;trisulfate
PubChem CID173441123
Molecular FormulaH2CaDy2O12S3
Molecular Weight655.28 g/mol
Exact Mass657.69
IUPAC Namecalcium;bis(dysprosium(3+));hydride;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[Dy+3].[Dy+3].[H-].[H-]
InChIInChI=1S/Ca.2Dy.3H2O4S.2H/c;;;3*1-5(2,3)4;;/h;;;3*(H2,1,2,3,4);;/q+2;2*+3;;;;2*-1/p-6
InChIKeyUSYYILJXLGRHBW-UHFFFAOYSA-H
XLogP-4.17
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.28
LogP ≤ 5-4.17
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 calcium;bis(dysprosium(3+));hydride;trisulfate?
The IUPAC name of calcium;bis(dysprosium(3+));hydride;trisulfate (CID 173441123) is calcium;bis(dysprosium(3+));hydride;trisulfate.
What is the SMILES notation for calcium;bis(dysprosium(3+));hydride;trisulfate?
The canonical SMILES for calcium;bis(dysprosium(3+));hydride;trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ca+2].[Dy+3].[Dy+3].[H-].[H-].
What is the InChIKey of calcium;bis(dysprosium(3+));hydride;trisulfate?
The InChIKey is USYYILJXLGRHBW-UHFFFAOYSA-H. The full InChI is InChI=1S/Ca.2Dy.3H2O4S.2H/c;;;3*1-5(2,3)4;;/h;;;3*(H2,1,2,3,4);;/q+2;2*+3;;;;2*-1/p-6.
What are the key properties of calcium;bis(dysprosium(3+));hydride;trisulfate?
calcium;bis(dysprosium(3+));hydride;trisulfate has a molecular weight of 655.28 g/mol, XLogP of -4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;bis(dysprosium(3+));hydride;trisulfate is sourced from PubChem (CID 173441123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).