bis(ytterbium(3+));trisulfate;octahydrate

H16O20S3Yb2 — CID 25022290

IUPACbis(ytterbium(3+));trisulfate;octahydrate
SMILESO.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Yb+3].[Yb+3]
InChIInChI=1S/3H2O4S.8H2O.2Yb/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6
InChIKeyMDOSIOHMOWGVIM-UHFFFAOYSA-H
MW778.39 g/mol
LogP-10.61
Rot. Bonds

About bis(ytterbium(3+));trisulfate;octahydrate

bis(ytterbium(3+));trisulfate;octahydrate (PubChem CID 25022290) has the molecular formula H16O20S3Yb2 and a molecular weight of 778.39 g/mol. Its IUPAC name is bis(ytterbium(3+));trisulfate;octahydrate.

Molecular Properties

Compound Namebis(ytterbium(3+));trisulfate;octahydrate
PubChem CID25022290
Molecular FormulaH16O20S3Yb2
Molecular Weight778.39 g/mol
Exact Mass779.82
IUPAC Namebis(ytterbium(3+));trisulfate;octahydrate
SMILESO.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Yb+3].[Yb+3]
InChIInChI=1S/3H2O4S.8H2O.2Yb/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6
InChIKeyMDOSIOHMOWGVIM-UHFFFAOYSA-H
XLogP-10.61
TPSA492.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.39
LogP ≤ 5-10.61
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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Related Compounds

tris(ytterbium(3+));disulfate;octahydrate
CID 131676103
sulfate trihydrate
CID 22613957
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
sodium;sulfate;heptahydrate
CID 18522796
copper;disulfate;hydrate
CID 44601134
bis(neodymium(3+));trisulfate;hydrate
CID 53249209
dialuminum;trisulfate;hexatriacontahydrate
CID 173430533
disodium;disulfate;hydrate
CID 20976610
bis(cerium(3+));trisulfate;pentahydrate
CID 57370410
dialuminum;trisulfate;tetrahydrate
CID 169423459

Frequently Asked Questions

What is the IUPAC name of bis(ytterbium(3+));trisulfate;octahydrate?
The IUPAC name of bis(ytterbium(3+));trisulfate;octahydrate (CID 25022290) is bis(ytterbium(3+));trisulfate;octahydrate.
What is the SMILES notation for bis(ytterbium(3+));trisulfate;octahydrate?
The canonical SMILES for bis(ytterbium(3+));trisulfate;octahydrate is O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Yb+3].[Yb+3].
What is the InChIKey of bis(ytterbium(3+));trisulfate;octahydrate?
The InChIKey is MDOSIOHMOWGVIM-UHFFFAOYSA-H. The full InChI is InChI=1S/3H2O4S.8H2O.2Yb/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6.
What are the key properties of bis(ytterbium(3+));trisulfate;octahydrate?
bis(ytterbium(3+));trisulfate;octahydrate has a molecular weight of 778.39 g/mol, XLogP of -10.61, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ytterbium(3+));trisulfate;octahydrate is sourced from PubChem (CID 25022290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).