antimony(3+);molybdenum(4+);trisulfate

MoO12S3Sb+ — CID 172694706

IUPACantimony(3+);molybdenum(4+);trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Mo+4].[Sb+3]
InChIInChI=1S/Mo.3H2O4S.Sb/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);/q+4;;;;+3/p-6
InChIKeyCDXUBOIBHBKCEC-UHFFFAOYSA-H
MW505.89 g/mol
LogP-4.40
Rot. Bonds

About antimony(3+);molybdenum(4+);trisulfate

antimony(3+);molybdenum(4+);trisulfate (PubChem CID 172694706) has the molecular formula MoO12S3Sb+ and a molecular weight of 505.89 g/mol. Its IUPAC name is antimony(3+);molybdenum(4+);trisulfate.

Molecular Properties

Compound Nameantimony(3+);molybdenum(4+);trisulfate
PubChem CID172694706
Molecular FormulaMoO12S3Sb+
Molecular Weight505.89 g/mol
Exact Mass506.66
IUPAC Nameantimony(3+);molybdenum(4+);trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Mo+4].[Sb+3]
InChIInChI=1S/Mo.3H2O4S.Sb/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);/q+4;;;;+3/p-6
InChIKeyCDXUBOIBHBKCEC-UHFFFAOYSA-H
XLogP-4.40
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.89
LogP ≤ 5-4.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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dilithium;cobalt;sulfate
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octaazanium;tetrasulfate
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CID 21225610
aluminum;lithium;sulfate
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dicalcium;sulfate
CID 23431966
strontium sulfate
CID 3084026

Frequently Asked Questions

What is the IUPAC name of antimony(3+);molybdenum(4+);trisulfate?
The IUPAC name of antimony(3+);molybdenum(4+);trisulfate (CID 172694706) is antimony(3+);molybdenum(4+);trisulfate.
What is the SMILES notation for antimony(3+);molybdenum(4+);trisulfate?
The canonical SMILES for antimony(3+);molybdenum(4+);trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Mo+4].[Sb+3].
What is the InChIKey of antimony(3+);molybdenum(4+);trisulfate?
The InChIKey is CDXUBOIBHBKCEC-UHFFFAOYSA-H. The full InChI is InChI=1S/Mo.3H2O4S.Sb/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);/q+4;;;;+3/p-6.
What are the key properties of antimony(3+);molybdenum(4+);trisulfate?
antimony(3+);molybdenum(4+);trisulfate has a molecular weight of 505.89 g/mol, XLogP of -4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);molybdenum(4+);trisulfate is sourced from PubChem (CID 172694706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).