tris(vanadium);pentasulfate

O20S5V3-10 — CID 173042063

IUPACtris(vanadium);pentasulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[V].[V].[V]
InChIInChI=1S/5H2O4S.3V/c5*1-5(2,3)4;;;/h5*(H2,1,2,3,4);;;/p-10
InChIKeyQJRNUCMJHJODIQ-UHFFFAOYSA-D
MW633.15 g/mol
LogP-6.70
Rot. Bonds

About tris(vanadium);pentasulfate

tris(vanadium);pentasulfate (PubChem CID 173042063) has the molecular formula O20S5V3-10 and a molecular weight of 633.15 g/mol. Its IUPAC name is tris(vanadium);pentasulfate.

Molecular Properties

Compound Nametris(vanadium);pentasulfate
PubChem CID173042063
Molecular FormulaO20S5V3-10
Molecular Weight633.15 g/mol
Exact Mass632.60
IUPAC Nametris(vanadium);pentasulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[V].[V].[V]
InChIInChI=1S/5H2O4S.3V/c5*1-5(2,3)4;;;/h5*(H2,1,2,3,4);;;/p-10
InChIKeyQJRNUCMJHJODIQ-UHFFFAOYSA-D
XLogP-6.70
TPSA401.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.15
LogP ≤ 5-6.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

manganese(2+);bis(vanadium);hexasulfate
CID 173120869
calcium;vanadium;sulfate
CID 158688101
hexadecasilver;octasulfate
CID 174664647
magnesium;potassium;vanadium;tetrasulfate
CID 174369959
sodium;vanadium;trisulfate;hydrate
CID 158094000
octacosacopper;pentasulfate
CID 173053964
cerium trisulfate
CID 160867766
aluminum;lithium;sulfate
CID 23446975
CID 23615458
CID 23615458
dilithium;cobalt;sulfate
CID 174060420
octaazanium;tetrasulfate
CID 86742620
silver;zinc;sulfate
CID 157447446

Frequently Asked Questions

What is the IUPAC name of tris(vanadium);pentasulfate?
The IUPAC name of tris(vanadium);pentasulfate (CID 173042063) is tris(vanadium);pentasulfate.
What is the SMILES notation for tris(vanadium);pentasulfate?
The canonical SMILES for tris(vanadium);pentasulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[V].[V].[V].
What is the InChIKey of tris(vanadium);pentasulfate?
The InChIKey is QJRNUCMJHJODIQ-UHFFFAOYSA-D. The full InChI is InChI=1S/5H2O4S.3V/c5*1-5(2,3)4;;;/h5*(H2,1,2,3,4);;;/p-10.
What are the key properties of tris(vanadium);pentasulfate?
tris(vanadium);pentasulfate has a molecular weight of 633.15 g/mol, XLogP of -6.70, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tris(vanadium);pentasulfate is sourced from PubChem (CID 173042063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).