bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate

C19H64N4O19U-6 — CID 139061182

IUPACbis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O.O.O.O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[O-2].[O-2].[U]
InChIInChI=1S/4C4H12N.3CH2O3.8H2O.2O.U/c4*1-5(2,3)4;3*2-1(3)4;;;;;;;;;;;/h4*1-4H3;3*(H2,2,3,4);8*1H2;;;/q4*+1;;;;;;;;;;;;2*-2;/p-6
InChIKeyZCNZAUVOEICFCK-UHFFFAOYSA-H
MW890.76 g/mol
LogP-12.89
Rot. Bonds

About bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate

bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate (PubChem CID 139061182) has the molecular formula C19H64N4O19U-6 and a molecular weight of 890.76 g/mol. Its IUPAC name is bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate.

Molecular Properties

Compound Namebis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate
PubChem CID139061182
Molecular FormulaC19H64N4O19U-6
Molecular Weight890.76 g/mol
Exact Mass890.47
IUPAC Namebis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O.O.O.O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[O-2].[O-2].[U]
InChIInChI=1S/4C4H12N.3CH2O3.8H2O.2O.U/c4*1-5(2,3)4;3*2-1(3)4;;;;;;;;;;;/h4*1-4H3;3*(H2,2,3,4);8*1H2;;;/q4*+1;;;;;;;;;;;;2*-2;/p-6
InChIKeyZCNZAUVOEICFCK-UHFFFAOYSA-H
XLogP-12.89
TPSA498.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500890.76
LogP ≤ 5-12.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cerium(4+);oxygen(2-);carbonate;hydrate
CID 159747762
oxalate;tris(tetramethylazanium);chloride
CID 156783427
boranuide;bis(tetramethylazanium);acetate
CID 173250936
carbonic acid;hydrogen carbonate;tetramethylazanium
CID 175144739
uranium;hexaacetate;hydrate
CID 174392556
CID 170997496
CID 170997496
dimagnesium;dicarbonate;hydrate
CID 157388040
bis(neodymium(3+));tricarbonate;decahydrate
CID 163951984
magnesium;carbonate;pentahydrate
CID 22723706
calcium;carbonate;hydrate
CID 23282065
disodium;carbonate;hydrate
CID 2735133
cerium(3+);oxygen(2-);acetate;hydrate
CID 172680017

Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate?
The IUPAC name of bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate (CID 139061182) is bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate.
What is the SMILES notation for bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate?
The canonical SMILES for bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate is C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.O.O.O.O.O.O.O.O.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[O-2].[O-2].[U].
What is the InChIKey of bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate?
The InChIKey is ZCNZAUVOEICFCK-UHFFFAOYSA-H. The full InChI is InChI=1S/4C4H12N.3CH2O3.8H2O.2O.U/c4*1-5(2,3)4;3*2-1(3)4;;;;;;;;;;;/h4*1-4H3;3*(H2,2,3,4);8*1H2;;;/q4*+1;;;;;;;;;;;;2*-2;/p-6.
What are the key properties of bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate?
bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate has a molecular weight of 890.76 g/mol, XLogP of -12.89, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));tetrakis(tetramethylazanium);uranium;tricarbonate;octahydrate is sourced from PubChem (CID 139061182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).