copper;tetrasodium;trisulfate

CuNa4O12S3 — CID 158226440

IUPACcopper;tetrasodium;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/Cu.4Na.3H2O4S/c;;;;;3*1-5(2,3)4/h;;;;;3*(H2,1,2,3,4)/q+2;4*+1;;;/p-6
InChIKeyGDVWNFYSIGMNPP-UHFFFAOYSA-H
MW443.70 g/mol
LogP-16.00
Rot. Bonds

About copper;tetrasodium;trisulfate

copper;tetrasodium;trisulfate (PubChem CID 158226440) has the molecular formula CuNa4O12S3 and a molecular weight of 443.70 g/mol. Its IUPAC name is copper;tetrasodium;trisulfate.

Molecular Properties

Compound Namecopper;tetrasodium;trisulfate
PubChem CID158226440
Molecular FormulaCuNa4O12S3
Molecular Weight443.70 g/mol
Exact Mass442.74
IUPAC Namecopper;tetrasodium;trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/Cu.4Na.3H2O4S/c;;;;;3*1-5(2,3)4/h;;;;;3*(H2,1,2,3,4)/q+2;4*+1;;;/p-6
InChIKeyGDVWNFYSIGMNPP-UHFFFAOYSA-H
XLogP-16.00
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.70
LogP ≤ 5-16.00
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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sodium;rhodium(3+);disulfate
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disodium;disulfate;hydrate
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disodium;sulfate;hydrofluoride
CID 158781826
copper;sulfate;hexahydrate
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copper;sulfate;pentahydrochloride
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sodium;lanthanum(3+);disulfate
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Frequently Asked Questions

What is the IUPAC name of copper;tetrasodium;trisulfate?
The IUPAC name of copper;tetrasodium;trisulfate (CID 158226440) is copper;tetrasodium;trisulfate.
What is the SMILES notation for copper;tetrasodium;trisulfate?
The canonical SMILES for copper;tetrasodium;trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of copper;tetrasodium;trisulfate?
The InChIKey is GDVWNFYSIGMNPP-UHFFFAOYSA-H. The full InChI is InChI=1S/Cu.4Na.3H2O4S/c;;;;;3*1-5(2,3)4/h;;;;;3*(H2,1,2,3,4)/q+2;4*+1;;;/p-6.
What are the key properties of copper;tetrasodium;trisulfate?
copper;tetrasodium;trisulfate has a molecular weight of 443.70 g/mol, XLogP of -16.00, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;tetrasodium;trisulfate is sourced from PubChem (CID 158226440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).