azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol

C36H78Mn4N10O18 — CID 6394701

About azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol

azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol (PubChem CID 6394701) has the molecular formula C36H78Mn4N10O18 and a molecular weight of 1158.82 g/mol. Its IUPAC name is azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol.

Molecular Properties

• Compound Name: azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
• PubChem CID: 6394701
• Molecular Formula: C36H78Mn4N10O18
• Molecular Weight: 1158.82 g/mol
• Exact Mass: 1158.30
• IUPAC Name: azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
• SMILES: O=[N+](O)O.O=[N+](O)O.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.ON(O)O.ON(O)O.[Mn+2].[Mn+2].[Mn].[Mn]
• InChI: InChI=1S/5C6H12NO.C6H8NO.4Mn.2H3NO3.2H2NO3/c6*8-5-6-3-1-2-4-7-6;;;;;4*2-1(3)4/h5*6,8H,1-5H2;1-3,8H,4-5H2;;;;;2*2-4H;2*(H2,2,3,4)/q6*-1;;;2*+2;;;2*+1
• InChIKey: MSLIDGVEFWOZRV-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 454.92 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.82
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?

The IUPAC name of azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol (CID 6394701) is azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol.

What is the SMILES notation for azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?

The canonical SMILES for azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol is O=[N+](O)O.O=[N+](O)O.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.ON(O)O.ON(O)O.[Mn+2].[Mn+2].[Mn].[Mn].

What is the InChIKey of azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?

The InChIKey is MSLIDGVEFWOZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H12NO.C6H8NO.4Mn.2H3NO3.2H2NO3/c6*8-5-6-3-1-2-4-7-6;;;;;4*2-1(3)4/h5*6,8H,1-5H2;1-3,8H,4-5H2;;;;;2*2-4H;2*(H2,2,3,4)/q6*-1;;;2*+2;;;2*+1.

What are the key properties of azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?

azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol has a molecular weight of 1158.82 g/mol, XLogP of 3.32, 6 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for azorous acid;bis(dihydroxy(oxo)azanium);manganese;bis(manganese(2+));pentakis(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol is sourced from PubChem (CID 6394701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).