copper;bis(bis(2-oxonioethyl)azanide);sulfate

C8H24CuN2O8S+2 — CID 54606290

IUPACcopper;bis(bis(2-oxonioethyl)azanide);sulfate
SMILESO=S(=O)([O-])[O-].[Cu+2].[OH2+]CC[N-]CC[OH2+].[OH2+]CC[N-]CC[OH2+]
InChIInChI=1S/2C4H10NO2.Cu.H2O4S/c2*6-3-1-5-2-4-7;;1-5(2,3)4/h2*6-7H,1-4H2;;(H2,1,2,3,4)/q2*-1;+2;/p+2
InChIKeyRQGRAVHJRRPIKY-UHFFFAOYSA-P
MW371.90 g/mol
LogP-3.72
Rot. Bonds8

About copper;bis(bis(2-oxonioethyl)azanide);sulfate

copper;bis(bis(2-oxonioethyl)azanide);sulfate (PubChem CID 54606290) has the molecular formula C8H24CuN2O8S+2 and a molecular weight of 371.90 g/mol. Its IUPAC name is copper;bis(bis(2-oxonioethyl)azanide);sulfate.

Molecular Properties

Compound Namecopper;bis(bis(2-oxonioethyl)azanide);sulfate
PubChem CID54606290
Molecular FormulaC8H24CuN2O8S+2
Molecular Weight371.90 g/mol
Exact Mass371.05
IUPAC Namecopper;bis(bis(2-oxonioethyl)azanide);sulfate
SMILESO=S(=O)([O-])[O-].[Cu+2].[OH2+]CC[N-]CC[OH2+].[OH2+]CC[N-]CC[OH2+]
InChIInChI=1S/2C4H10NO2.Cu.H2O4S/c2*6-3-1-5-2-4-7;;1-5(2,3)4/h2*6-7H,1-4H2;;(H2,1,2,3,4)/q2*-1;+2;/p+2
InChIKeyRQGRAVHJRRPIKY-UHFFFAOYSA-P
XLogP-3.72
TPSA200.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.90
LogP ≤ 5-3.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;bis(bis(2-oxonioethyl)azanide);sulfate?
The IUPAC name of copper;bis(bis(2-oxonioethyl)azanide);sulfate (CID 54606290) is copper;bis(bis(2-oxonioethyl)azanide);sulfate.
What is the SMILES notation for copper;bis(bis(2-oxonioethyl)azanide);sulfate?
The canonical SMILES for copper;bis(bis(2-oxonioethyl)azanide);sulfate is O=S(=O)([O-])[O-].[Cu+2].[OH2+]CC[N-]CC[OH2+].[OH2+]CC[N-]CC[OH2+].
What is the InChIKey of copper;bis(bis(2-oxonioethyl)azanide);sulfate?
The InChIKey is RQGRAVHJRRPIKY-UHFFFAOYSA-P. The full InChI is InChI=1S/2C4H10NO2.Cu.H2O4S/c2*6-3-1-5-2-4-7;;1-5(2,3)4/h2*6-7H,1-4H2;;(H2,1,2,3,4)/q2*-1;+2;/p+2.
What are the key properties of copper;bis(bis(2-oxonioethyl)azanide);sulfate?
copper;bis(bis(2-oxonioethyl)azanide);sulfate has a molecular weight of 371.90 g/mol, XLogP of -3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(bis(2-oxonioethyl)azanide);sulfate is sourced from PubChem (CID 54606290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).