copper;azane;sulfuric acid;sulfate;hexahydrate

H20CuN2O14S2 — CID 102602606

IUPACcopper;azane;sulfuric acid;sulfate;hexahydrate
SMILESN.N.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/Cu.2H3N.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;2*(H2,1,2,3,4);6*1H2/q+2;;;;;;;;;;/p-2
InChIKeyIHEZHABINDDXAE-UHFFFAOYSA-L
MW399.84 g/mol
LogP-6.62
Rot. Bonds

About copper;azane;sulfuric acid;sulfate;hexahydrate

copper;azane;sulfuric acid;sulfate;hexahydrate (PubChem CID 102602606) has the molecular formula H20CuN2O14S2 and a molecular weight of 399.84 g/mol. Its IUPAC name is copper;azane;sulfuric acid;sulfate;hexahydrate.

Molecular Properties

Compound Namecopper;azane;sulfuric acid;sulfate;hexahydrate
PubChem CID102602606
Molecular FormulaH20CuN2O14S2
Molecular Weight399.84 g/mol
Exact Mass398.97
IUPAC Namecopper;azane;sulfuric acid;sulfate;hexahydrate
SMILESN.N.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/Cu.2H3N.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;2*(H2,1,2,3,4);6*1H2/q+2;;;;;;;;;;/p-2
InChIKeyIHEZHABINDDXAE-UHFFFAOYSA-L
XLogP-6.62
TPSA413.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 5-6.62
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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Related Compounds

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sodium;sulfuric acid;sulfate
CID 19758473
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CID 44601134

Frequently Asked Questions

What is the IUPAC name of copper;azane;sulfuric acid;sulfate;hexahydrate?
The IUPAC name of copper;azane;sulfuric acid;sulfate;hexahydrate (CID 102602606) is copper;azane;sulfuric acid;sulfate;hexahydrate.
What is the SMILES notation for copper;azane;sulfuric acid;sulfate;hexahydrate?
The canonical SMILES for copper;azane;sulfuric acid;sulfate;hexahydrate is N.N.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper;azane;sulfuric acid;sulfate;hexahydrate?
The InChIKey is IHEZHABINDDXAE-UHFFFAOYSA-L. The full InChI is InChI=1S/Cu.2H3N.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h;2*1H3;2*(H2,1,2,3,4);6*1H2/q+2;;;;;;;;;;/p-2.
What are the key properties of copper;azane;sulfuric acid;sulfate;hexahydrate?
copper;azane;sulfuric acid;sulfate;hexahydrate has a molecular weight of 399.84 g/mol, XLogP of -6.62, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;azane;sulfuric acid;sulfate;hexahydrate is sourced from PubChem (CID 102602606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).