bis(ethane-1,2-diamine);palladium(2+);sulfate

C4H16N4O4PdS — CID 75124207

IUPACbis(ethane-1,2-diamine);palladium(2+);sulfate
SMILESNCCN.NCCN.O=S(=O)([O-])[O-].[Pd+2]
InChIInChI=1S/2C2H8N2.H2O4S.Pd/c2*3-1-2-4;1-5(2,3)4;/h2*1-4H2;(H2,1,2,3,4);/q;;;+2/p-2
InChIKeyVSMQONWUQMZYAX-UHFFFAOYSA-L
MW322.68 g/mol
LogP-3.53
Rot. Bonds2

About bis(ethane-1,2-diamine);palladium(2+);sulfate

bis(ethane-1,2-diamine);palladium(2+);sulfate (PubChem CID 75124207) has the molecular formula C4H16N4O4PdS and a molecular weight of 322.68 g/mol. Its IUPAC name is bis(ethane-1,2-diamine);palladium(2+);sulfate.

Molecular Properties

Compound Namebis(ethane-1,2-diamine);palladium(2+);sulfate
PubChem CID75124207
Molecular FormulaC4H16N4O4PdS
Molecular Weight322.68 g/mol
Exact Mass321.99
IUPAC Namebis(ethane-1,2-diamine);palladium(2+);sulfate
SMILESNCCN.NCCN.O=S(=O)([O-])[O-].[Pd+2]
InChIInChI=1S/2C2H8N2.H2O4S.Pd/c2*3-1-2-4;1-5(2,3)4;/h2*1-4H2;(H2,1,2,3,4);/q;;;+2/p-2
InChIKeyVSMQONWUQMZYAX-UHFFFAOYSA-L
XLogP-3.53
TPSA184.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.68
LogP ≤ 5-3.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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 bis(ethane-1,2-diamine);palladium(2+);sulfate?
The IUPAC name of bis(ethane-1,2-diamine);palladium(2+);sulfate (CID 75124207) is bis(ethane-1,2-diamine);palladium(2+);sulfate.
What is the SMILES notation for bis(ethane-1,2-diamine);palladium(2+);sulfate?
The canonical SMILES for bis(ethane-1,2-diamine);palladium(2+);sulfate is NCCN.NCCN.O=S(=O)([O-])[O-].[Pd+2].
What is the InChIKey of bis(ethane-1,2-diamine);palladium(2+);sulfate?
The InChIKey is VSMQONWUQMZYAX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H8N2.H2O4S.Pd/c2*3-1-2-4;1-5(2,3)4;/h2*1-4H2;(H2,1,2,3,4);/q;;;+2/p-2.
What are the key properties of bis(ethane-1,2-diamine);palladium(2+);sulfate?
bis(ethane-1,2-diamine);palladium(2+);sulfate has a molecular weight of 322.68 g/mol, XLogP of -3.53, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diamine);palladium(2+);sulfate is sourced from PubChem (CID 75124207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).