copper;phosphono phosphate;sulfuric acid

H4CuO11P2S — CID 175344520

IUPACcopper;phosphono phosphate;sulfuric acid
SMILESO=P([O-])([O-])OP(=O)(O)O.O=S(=O)(O)O.[Cu+2]
InChIInChI=1S/Cu.H4O7P2.H2O4S/c;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;(H2,1,2,3)(H2,4,5,6);(H2,1,2,3,4)/q+2;;/p-2
InChIKeyZDIBDCNCHWXCDJ-UHFFFAOYSA-L
MW337.58 g/mol
LogP-2.73
Rot. Bonds2

About copper;phosphono phosphate;sulfuric acid

copper;phosphono phosphate;sulfuric acid (PubChem CID 175344520) has the molecular formula H4CuO11P2S and a molecular weight of 337.58 g/mol. Its IUPAC name is copper;phosphono phosphate;sulfuric acid.

Molecular Properties

Compound Namecopper;phosphono phosphate;sulfuric acid
PubChem CID175344520
Molecular FormulaH4CuO11P2S
Molecular Weight337.58 g/mol
Exact Mass336.82
IUPAC Namecopper;phosphono phosphate;sulfuric acid
SMILESO=P([O-])([O-])OP(=O)(O)O.O=S(=O)(O)O.[Cu+2]
InChIInChI=1S/Cu.H4O7P2.H2O4S/c;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;(H2,1,2,3)(H2,4,5,6);(H2,1,2,3,4)/q+2;;/p-2
InChIKeyZDIBDCNCHWXCDJ-UHFFFAOYSA-L
XLogP-2.73
TPSA204.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.58
LogP ≤ 5-2.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper;phosphono phosphate;sulfuric acid?
The IUPAC name of copper;phosphono phosphate;sulfuric acid (CID 175344520) is copper;phosphono phosphate;sulfuric acid.
What is the SMILES notation for copper;phosphono phosphate;sulfuric acid?
The canonical SMILES for copper;phosphono phosphate;sulfuric acid is O=P([O-])([O-])OP(=O)(O)O.O=S(=O)(O)O.[Cu+2].
What is the InChIKey of copper;phosphono phosphate;sulfuric acid?
The InChIKey is ZDIBDCNCHWXCDJ-UHFFFAOYSA-L. The full InChI is InChI=1S/Cu.H4O7P2.H2O4S/c;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;(H2,1,2,3)(H2,4,5,6);(H2,1,2,3,4)/q+2;;/p-2.
What are the key properties of copper;phosphono phosphate;sulfuric acid?
copper;phosphono phosphate;sulfuric acid has a molecular weight of 337.58 g/mol, XLogP of -2.73, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;phosphono phosphate;sulfuric acid is sourced from PubChem (CID 175344520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).