manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate

C16H40Cl3Mn2N8O6-4 — CID 139180336

IUPACmanganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate
SMILESC1CNCCNCCNCCN1.C1CNCCNCCNCCN1.[Cl-].[Cl-].[Mn+3].[Mn].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C8H20N4.ClHO4.2ClH.2Mn.2O/c2*1-2-10-5-6-12-8-7-11-4-3-9-1;2-1(3,4)5;;;;;;/h2*9-12H,1-8H2;(H,2,3,4,5);2*1H;;;;/q;;;;;;+3;2*-2/p-3
InChIKeyZXCFVDAMLNOJBT-UHFFFAOYSA-K
MW656.78 g/mol
LogP-14.27
Rot. Bonds

About manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate

manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate (PubChem CID 139180336) has the molecular formula C16H40Cl3Mn2N8O6-4 and a molecular weight of 656.78 g/mol. Its IUPAC name is manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate.

Molecular Properties

Compound Namemanganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate
PubChem CID139180336
Molecular FormulaC16H40Cl3Mn2N8O6-4
Molecular Weight656.78 g/mol
Exact Mass655.09
IUPAC Namemanganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate
SMILESC1CNCCNCCNCCN1.C1CNCCNCCNCCN1.[Cl-].[Cl-].[Mn+3].[Mn].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C8H20N4.ClHO4.2ClH.2Mn.2O/c2*1-2-10-5-6-12-8-7-11-4-3-9-1;2-1(3,4)5;;;;;;/h2*9-12H,1-8H2;(H,2,3,4,5);2*1H;;;;/q;;;;;;+3;2*-2/p-3
InChIKeyZXCFVDAMLNOJBT-UHFFFAOYSA-K
XLogP-14.27
TPSA245.48 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500656.78
LogP ≤ 5-14.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate?
The IUPAC name of manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate (CID 139180336) is manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate.
What is the SMILES notation for manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate?
The canonical SMILES for manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate is C1CNCCNCCNCCN1.C1CNCCNCCNCCN1.[Cl-].[Cl-].[Mn+3].[Mn].[O-2].[O-2].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate?
The InChIKey is ZXCFVDAMLNOJBT-UHFFFAOYSA-K. The full InChI is InChI=1S/2C8H20N4.ClHO4.2ClH.2Mn.2O/c2*1-2-10-5-6-12-8-7-11-4-3-9-1;2-1(3,4)5;;;;;;/h2*9-12H,1-8H2;(H,2,3,4,5);2*1H;;;;/q;;;;;;+3;2*-2/p-3.
What are the key properties of manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate?
manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate has a molecular weight of 656.78 g/mol, XLogP of -14.27, 0 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;manganese(3+);bis(oxygen(2-));bis(1,4,7,10-tetrazacyclododecane);dichloride;perchlorate is sourced from PubChem (CID 139180336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).