magnesium;5-fluoro-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;hydride

C32H57FMgN8 — CID 175400216

About magnesium;5-fluoro-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;hydride

magnesium;5-fluoro-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;hydride (PubChem CID 175400216) has the molecular formula C32H57FMgN8 and a molecular weight of 597.17 g/mol. Its IUPAC name is magnesium;5-fluoro-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;hydride.

Molecular Properties

• Compound Name: magnesium;5-fluoro-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;hydride
• PubChem CID: 175400216
• Molecular Formula: C32H57FMgN8
• Molecular Weight: 597.17 g/mol
• Exact Mass: 596.45
• IUPAC Name: magnesium;5-fluoro-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;hydride
• SMILES: FC1CCCC2C3NC4NC(NC5NC(NC6NC(NC(N3)C12)C1CCCCC61)C1CCCCC51)C1CCCCC41.[H-].[H-].[Mg+2]
• InChI: InChI=1S/C32H55FN8.Mg.2H/c33-23-15-7-14-22-24(23)32-40-30-21-13-6-5-12-20(21)28(38-30)36-26-17-9-2-1-8-16(17)25(34-26)35-27-18-10-3-4-11-19(18)29(37-27)39-31(22)41-32;;;/h16-32,34-41H,1-15H2;;;/q;+2;2*-1
• InChIKey: RXCWPAQUMFVEBK-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 96.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.17
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of magnesium;5-fluoro-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;hydride?

The IUPAC name of magnesium;5-fluoro-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;hydride (CID 175400216) is magnesium;5-fluoro-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;hydride.

What is the SMILES notation for magnesium;5-fluoro-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;hydride?

The canonical SMILES for magnesium;5-fluoro-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;hydride is FC1CCCC2C3NC4NC(NC5NC(NC6NC(NC(N3)C12)C1CCCCC61)C1CCCCC51)C1CCCCC41.[H-].[H-].[Mg+2].

What is the InChIKey of magnesium;5-fluoro-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;hydride?

The InChIKey is RXCWPAQUMFVEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H55FN8.Mg.2H/c33-23-15-7-14-22-24(23)32-40-30-21-13-6-5-12-20(21)28(38-30)36-26-17-9-2-1-8-16(17)25(34-26)35-27-18-10-3-4-11-19(18)29(37-27)39-31(22)41-32;;;/h16-32,34-41H,1-15H2;;;/q;+2;2*-1.

What are the key properties of magnesium;5-fluoro-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;hydride?

magnesium;5-fluoro-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;hydride has a molecular weight of 597.17 g/mol, XLogP of 2.40, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;5-fluoro-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;hydride is sourced from PubChem (CID 175400216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).