tris(ytterbium(3+));disulfate;octahydrate

H16O16S2Yb3+5 — CID 131676103

IUPACtris(ytterbium(3+));disulfate;octahydrate
SMILESO.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Yb+3].[Yb+3].[Yb+3]
InChIInChI=1S/2H2O4S.8H2O.3Yb/c2*1-5(2,3)4;;;;;;;;;;;/h2*(H2,1,2,3,4);8*1H2;;;/q;;;;;;;;;;3*+3/p-4
InChIKeyDCBXOGFKUGSJNJ-UHFFFAOYSA-J
MW855.37 g/mol
LogP-9.27
Rot. Bonds

About tris(ytterbium(3+));disulfate;octahydrate

tris(ytterbium(3+));disulfate;octahydrate (PubChem CID 131676103) has the molecular formula H16O16S2Yb3+5 and a molecular weight of 855.37 g/mol. Its IUPAC name is tris(ytterbium(3+));disulfate;octahydrate.

Molecular Properties

Compound Nametris(ytterbium(3+));disulfate;octahydrate
PubChem CID131676103
Molecular FormulaH16O16S2Yb3+5
Molecular Weight855.37 g/mol
Exact Mass857.80
IUPAC Nametris(ytterbium(3+));disulfate;octahydrate
SMILESO.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Yb+3].[Yb+3].[Yb+3]
InChIInChI=1S/2H2O4S.8H2O.3Yb/c2*1-5(2,3)4;;;;;;;;;;;/h2*(H2,1,2,3,4);8*1H2;;;/q;;;;;;;;;;3*+3/p-4
InChIKeyDCBXOGFKUGSJNJ-UHFFFAOYSA-J
XLogP-9.27
TPSA412.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500855.37
LogP ≤ 5-9.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

bis(ytterbium(3+));trisulfate;octahydrate
CID 25022290
sulfate trihydrate
CID 22613957
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
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
dialuminum;trisulfate;dotriacontahydrate
CID 172707347

Frequently Asked Questions

What is the IUPAC name of tris(ytterbium(3+));disulfate;octahydrate?
The IUPAC name of tris(ytterbium(3+));disulfate;octahydrate (CID 131676103) is tris(ytterbium(3+));disulfate;octahydrate.
What is the SMILES notation for tris(ytterbium(3+));disulfate;octahydrate?
The canonical SMILES for tris(ytterbium(3+));disulfate;octahydrate is O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Yb+3].[Yb+3].[Yb+3].
What is the InChIKey of tris(ytterbium(3+));disulfate;octahydrate?
The InChIKey is DCBXOGFKUGSJNJ-UHFFFAOYSA-J. The full InChI is InChI=1S/2H2O4S.8H2O.3Yb/c2*1-5(2,3)4;;;;;;;;;;;/h2*(H2,1,2,3,4);8*1H2;;;/q;;;;;;;;;;3*+3/p-4.
What are the key properties of tris(ytterbium(3+));disulfate;octahydrate?
tris(ytterbium(3+));disulfate;octahydrate has a molecular weight of 855.37 g/mol, XLogP of -9.27, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ytterbium(3+));disulfate;octahydrate is sourced from PubChem (CID 131676103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).