azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate

C24H50Cu2N4O9 — CID 4867575

About azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate

azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate (PubChem CID 4867575) has the molecular formula C24H50Cu2N4O9 and a molecular weight of 665.77 g/mol. Its IUPAC name is azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate.

Molecular Properties

• Compound Name: azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate
• PubChem CID: 4867575
• Molecular Formula: C24H50Cu2N4O9
• Molecular Weight: 665.77 g/mol
• Exact Mass: 664.22
• IUPAC Name: azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate
• SMILES: O.OC1CCN(C2C3CCCCC3C(N3CCC(O)CC3)C3CCCCC32)CC1.ON(O)O.ON(O)O.[Cu].[Cu]
• InChI: InChI=1S/C24H42N2O2.2Cu.2H3NO3.H2O/c27-17-9-13-25(14-10-17)23-19-5-1-2-6-20(19)24(22-8-4-3-7-21(22)23)26-15-11-18(28)12-16-26;;;2*2-1(3)4;/h17-24,27-28H,1-16H2;;;2*2-4H;1H2
• InChIKey: OIUBOYYHGOCKJV-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 206.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	665.77
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

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;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate?

The IUPAC name of azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate (CID 4867575) is azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate.

What is the SMILES notation for azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate?

The canonical SMILES for azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate is O.OC1CCN(C2C3CCCCC3C(N3CCC(O)CC3)C3CCCCC32)CC1.ON(O)O.ON(O)O.[Cu].[Cu].

What is the InChIKey of azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate?

The InChIKey is OIUBOYYHGOCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O2.2Cu.2H3NO3.H2O/c27-17-9-13-25(14-10-17)23-19-5-1-2-6-20(19)24(22-8-4-3-7-21(22)23)26-15-11-18(28)12-16-26;;;2*2-1(3)4;/h17-24,27-28H,1-16H2;;;2*2-4H;1H2.

What are the key properties of azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate?

azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate has a molecular weight of 665.77 g/mol, XLogP of 1.35, 2 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for azorous acid;copper;1-[10-(4-hydroxypiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]piperidin-4-ol;hydrate is sourced from PubChem (CID 4867575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).