aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate

C4H46AlMo6N2O43Sm-36 — CID 139164831

IUPACaluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[NH3+]CC(=O)[O-].[NH3+]CC(=O)[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Sm+3]
InChIInChI=1S/2C2H5NO2.Al.6Mo.21H2O.18O.Sm/c2*3-1-2(4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1,3H2,(H,4,5);;;;;;;;21*1H2;;;;;;;;;;;;;;;;;;;/q;;+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;18*-2;+3/p-6
InChIKeyPDLVTRQHQVQRAJ-UHFFFAOYSA-H
MW1563.37 g/mol
LogP-22.01
Rot. Bonds2

About aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate

aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate (PubChem CID 139164831) has the molecular formula C4H46AlMo6N2O43Sm-36 and a molecular weight of 1563.37 g/mol. Its IUPAC name is aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate.

Molecular Properties

Compound Namealuminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate
PubChem CID139164831
Molecular FormulaC4H46AlMo6N2O43Sm-36
Molecular Weight1563.37 g/mol
Exact Mass1576.50
IUPAC Namealuminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[NH3+]CC(=O)[O-].[NH3+]CC(=O)[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Sm+3]
InChIInChI=1S/2C2H5NO2.Al.6Mo.21H2O.18O.Sm/c2*3-1-2(4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1,3H2,(H,4,5);;;;;;;;21*1H2;;;;;;;;;;;;;;;;;;;/q;;+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;18*-2;+3/p-6
InChIKeyPDLVTRQHQVQRAJ-UHFFFAOYSA-H
XLogP-22.01
TPSA1301.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001563.37
LogP ≤ 5-22.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate?
The IUPAC name of aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate (CID 139164831) is aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate.
What is the SMILES notation for aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate?
The canonical SMILES for aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[NH3+]CC(=O)[O-].[NH3+]CC(=O)[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Sm+3].
What is the InChIKey of aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate?
The InChIKey is PDLVTRQHQVQRAJ-UHFFFAOYSA-H. The full InChI is InChI=1S/2C2H5NO2.Al.6Mo.21H2O.18O.Sm/c2*3-1-2(4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1,3H2,(H,4,5);;;;;;;;21*1H2;;;;;;;;;;;;;;;;;;;/q;;+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;18*-2;+3/p-6.
What are the key properties of aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate?
aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate has a molecular weight of 1563.37 g/mol, XLogP of -22.01, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;bis(2-azaniumylacetate);molybdenum;octadecakis(oxygen(2-));samarium(3+);hexahydroxide;pentadecahydrate is sourced from PubChem (CID 139164831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).