manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+))

C80H80Mn2N8O20U2-8 — CID 139143540

About manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+))

manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+)) (PubChem CID 139143540) has the molecular formula C80H80Mn2N8O20U2-8 and a molecular weight of 2059.49 g/mol. Its IUPAC name is manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+)).

Molecular Properties

• Compound Name: manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+))
• PubChem CID: 139143540
• Molecular Formula: C80H80Mn2N8O20U2-8
• Molecular Weight: 2059.49 g/mol
• Exact Mass: 2058.53
• IUPAC Name: manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+))
• SMILES: O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].[Mn].[Mn].[O-2].[O-2].[O-2].[O-2].[U+4].[U+4].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/4C12H8N2.4C8H14O4.2Mn.4O.2U/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*9-7(10)5-3-1-2-4-6-8(11)12;;;;;;;;/h4*1-8H;4*1-6H2,(H,9,10)(H,11,12);;;;;;;;/q;;;;;;;;;;4*-2;2*+4/p-8
• InChIKey: VELWHQKVMMIZCW-UHFFFAOYSA-F
• XLogP: 5.96
• TPSA: 538.16 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2059.49
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+))?

The IUPAC name of manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+)) (CID 139143540) is manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+)).

What is the SMILES notation for manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+))?

The canonical SMILES for manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+)) is O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].O=C([O-])CCCCCCC(=O)[O-].[Mn].[Mn].[O-2].[O-2].[O-2].[O-2].[U+4].[U+4].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+))?

The InChIKey is VELWHQKVMMIZCW-UHFFFAOYSA-F. The full InChI is InChI=1S/4C12H8N2.4C8H14O4.2Mn.4O.2U/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*9-7(10)5-3-1-2-4-6-8(11)12;;;;;;;;/h4*1-8H;4*1-6H2,(H,9,10)(H,11,12);;;;;;;;/q;;;;;;;;;;4*-2;2*+4/p-8.

What are the key properties of manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+))?

manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+)) has a molecular weight of 2059.49 g/mol, XLogP of 5.96, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+)) is sourced from PubChem (CID 139143540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).