tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane

C32H60CuN8Na4 — CID 173084028

About tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane

tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane (PubChem CID 173084028) has the molecular formula C32H60CuN8Na4 and a molecular weight of 712.39 g/mol. Its IUPAC name is tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane.

Molecular Properties

• Compound Name: tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
• PubChem CID: 173084028
• Molecular Formula: C32H60CuN8Na4
• Molecular Weight: 712.39 g/mol
• Exact Mass: 711.38
• IUPAC Name: tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
• SMILES: C1CCC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3CCCCC63)C3CCCCC53)C3CCCCC43)C2C1.[Cu].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C32H56N8.Cu.4Na.4H/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;;;;;;;;/h17-40H,1-16H2;;;;;;;;;/q;;4*+1;4*-1
• InChIKey: MATWEOJXADQGMY-UHFFFAOYSA-N
• XLogP: -8.93
• TPSA: 96.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.39
LogP ≤ 5	-8.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

The IUPAC name of tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane (CID 173084028) is tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane.

What is the SMILES notation for tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

The canonical SMILES for tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane is C1CCC2C3NC(NC4NC(NC5NC(NC6NC(N3)C3CCCCC63)C3CCCCC53)C3CCCCC43)C2C1.[Cu].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

The InChIKey is MATWEOJXADQGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N8.Cu.4Na.4H/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;;;;;;;;/h17-40H,1-16H2;;;;;;;;;/q;;4*+1;4*-1.

What are the key properties of tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane has a molecular weight of 712.39 g/mol, XLogP of -8.93, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tetrasodium;copper;hydride;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane is sourced from PubChem (CID 173084028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).