chromium;bis(chromium(3+));trisulfate

Cr3O12S3 — CID 174810761

IUPACchromium;bis(chromium(3+));trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3].[Cr]
InChIInChI=1S/3Cr.3H2O4S/c;;;3*1-5(2,3)4/h;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6
InChIKeyVUAOFEGSIOQCJK-UHFFFAOYSA-H
MW444.18 g/mol
LogP-4.02
Rot. Bonds

About chromium;bis(chromium(3+));trisulfate

chromium;bis(chromium(3+));trisulfate (PubChem CID 174810761) has the molecular formula Cr3O12S3 and a molecular weight of 444.18 g/mol. Its IUPAC name is chromium;bis(chromium(3+));trisulfate.

Molecular Properties

Compound Namechromium;bis(chromium(3+));trisulfate
PubChem CID174810761
Molecular FormulaCr3O12S3
Molecular Weight444.18 g/mol
Exact Mass443.68
IUPAC Namechromium;bis(chromium(3+));trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3].[Cr]
InChIInChI=1S/3Cr.3H2O4S/c;;;3*1-5(2,3)4/h;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6
InChIKeyVUAOFEGSIOQCJK-UHFFFAOYSA-H
XLogP-4.02
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.18
LogP ≤ 5-4.02
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

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potassium;chromium(3+);disulfate;decahydrate
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diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate
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chromium(3+);chloride;sulfate;hexahydrate
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CID 6365199
CID 6365199
strontium sulfate
CID 3084026
dicalcium;sulfate
CID 23431966
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Frequently Asked Questions

What is the IUPAC name of chromium;bis(chromium(3+));trisulfate?
The IUPAC name of chromium;bis(chromium(3+));trisulfate (CID 174810761) is chromium;bis(chromium(3+));trisulfate.
What is the SMILES notation for chromium;bis(chromium(3+));trisulfate?
The canonical SMILES for chromium;bis(chromium(3+));trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cr+3].[Cr+3].[Cr].
What is the InChIKey of chromium;bis(chromium(3+));trisulfate?
The InChIKey is VUAOFEGSIOQCJK-UHFFFAOYSA-H. The full InChI is InChI=1S/3Cr.3H2O4S/c;;;3*1-5(2,3)4/h;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6.
What are the key properties of chromium;bis(chromium(3+));trisulfate?
chromium;bis(chromium(3+));trisulfate has a molecular weight of 444.18 g/mol, XLogP of -4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;bis(chromium(3+));trisulfate is sourced from PubChem (CID 174810761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).