diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate

H26Mo6N2Na2NiO30-35 — CID 139071135

IUPACdiazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate
SMILESO.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[NH4+].[NH4+].[Na+].[Na+].[Ni+3].[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-]
InChIInChI=1S/6Mo.2H3N.2Na.Ni.12H2O.18O/h;;;;;;2*1H3;;;;12*1H2;;;;;;;;;;;;;;;;;;/q;;;;;;;;2*+1;+3;;;;;;;;;;;;;18*-2/p-4
InChIKeyAVPNCTNUENMNNU-UHFFFAOYSA-J
MW1214.51 g/mol
LogP-13.40
Rot. Bonds

About diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate

diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate (PubChem CID 139071135) has the molecular formula H26Mo6N2Na2NiO30-35 and a molecular weight of 1214.51 g/mol. Its IUPAC name is diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate.

Molecular Properties

Compound Namediazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate
PubChem CID139071135
Molecular FormulaH26Mo6N2Na2NiO30-35
Molecular Weight1214.51 g/mol
Exact Mass1225.42
IUPAC Namediazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate
SMILESO.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[NH4+].[NH4+].[Na+].[Na+].[Ni+3].[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-]
InChIInChI=1S/6Mo.2H3N.2Na.Ni.12H2O.18O/h;;;;;;2*1H3;;;;12*1H2;;;;;;;;;;;;;;;;;;/q;;;;;;;;2*+1;+3;;;;;;;;;;;;;18*-2/p-4
InChIKeyAVPNCTNUENMNNU-UHFFFAOYSA-J
XLogP-13.40
TPSA955.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001214.51
LogP ≤ 5-13.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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iron(3+);oxygen(2-);hydroxide;hydrate
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BiNaO3
CID 131664143
nickel(2+);hexahydrate
CID 5251517
molybdenum;octahydrate
CID 72725784

Frequently Asked Questions

What is the IUPAC name of diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate?
The IUPAC name of diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate (CID 139071135) is diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate.
What is the SMILES notation for diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate?
The canonical SMILES for diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate is O.O.O.O.O.O.[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[NH4+].[NH4+].[Na+].[Na+].[Ni+3].[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-].
What is the InChIKey of diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate?
The InChIKey is AVPNCTNUENMNNU-UHFFFAOYSA-J. The full InChI is InChI=1S/6Mo.2H3N.2Na.Ni.12H2O.18O/h;;;;;;2*1H3;;;;12*1H2;;;;;;;;;;;;;;;;;;/q;;;;;;;;2*+1;+3;;;;;;;;;;;;;18*-2/p-4.
What are the key properties of diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate?
diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate has a molecular weight of 1214.51 g/mol, XLogP of -13.40, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;disodium;molybdenum;nickel(3+);octadecakis(oxygen(2-));hexahydroxide;hexahydrate is sourced from PubChem (CID 139071135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).