About carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+))
carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+)) (PubChem CID 160955770) has the molecular formula C36H60N12O16U20-16
and a molecular weight of 5677.52 g/mol. Its IUPAC name is carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+)).
Molecular Properties
| Compound Name | carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+)) |
|---|
| PubChem CID | 160955770 |
|---|
| Molecular Formula | C36H60N12O16U20-16 |
|---|
| Molecular Weight | 5677.52 g/mol |
|---|
| Exact Mass | 5677.45 |
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| IUPAC Name | carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+)) |
|---|
| SMILES | [CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]O.[CH2-]O.[CH2-]O.[CH2-]O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[U+2].[U+2].[U+2].[U+2].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U] |
|---|
| InChI | InChI=1S/12C2H2NO.4CH3O.8CH3.20U/c12*1-3-2-4;4*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*1H2;4*2H,1H2;8*1H3;;;;;;;;;;;;;;;;;;;;/q24*-1;;;;;;;;;;;;;;;;;4*+2 |
|---|
| InChIKey | UWZQKLGWARJGAJ-UHFFFAOYSA-N |
|---|
| XLogP | 5.57 |
|---|
| TPSA | 434.08 Ų |
|---|
| H-Bond Donors | 4 |
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| H-Bond Acceptors | 28 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 84 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 5677.52 |
| LogP ≤ 5 | 5.57 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 28 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+))?
The IUPAC name of carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+)) (CID 160955770) is carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+)).
What is the SMILES notation for carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+))?
The canonical SMILES for carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+)) is [CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]N=C=O.[CH2-]O.[CH2-]O.[CH2-]O.[CH2-]O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[U+2].[U+2].[U+2].[U+2].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].[U].
What is the InChIKey of carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+))?
The InChIKey is UWZQKLGWARJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/12C2H2NO.4CH3O.8CH3.20U/c12*1-3-2-4;4*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h12*1H2;4*2H,1H2;8*1H3;;;;;;;;;;;;;;;;;;;;/q24*-1;;;;;;;;;;;;;;;;;4*+2.
What are the key properties of carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+))?
carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+)) has a molecular weight of 5677.52 g/mol, XLogP of 5.57, 0 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanidylimino(oxo)methane;methanol;uranium;tetrakis(uranium(2+)) is sourced from PubChem (CID 160955770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).