diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate

H30Mo7N2O36S — CID 173175544

IUPACdiazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate
SMILESO.O.O.O.O=S(=O)([O-])[O-].O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.[NH4+].[NH4+]
InChIInChI=1S/7Mo.2H3N.H2O4S.18H2O.14O/c;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;2*1H3;(H2,1,2,3,4);18*1H2;;;;;;;;;;;;;;/q7*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-14
InChIKeyBHJIRYNUYKYQCN-UHFFFAOYSA-A
MW1337.87 g/mol
LogP-13.36
Rot. Bonds

About diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate

diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate (PubChem CID 173175544) has the molecular formula H30Mo7N2O36S and a molecular weight of 1337.87 g/mol. Its IUPAC name is diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate.

Molecular Properties

Compound Namediazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate
PubChem CID173175544
Molecular FormulaH30Mo7N2O36S
Molecular Weight1337.87 g/mol
Exact Mass1351.37
IUPAC Namediazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate
SMILESO.O.O.O.O=S(=O)([O-])[O-].O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.[NH4+].[NH4+]
InChIInChI=1S/7Mo.2H3N.H2O4S.18H2O.14O/c;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;2*1H3;(H2,1,2,3,4);18*1H2;;;;;;;;;;;;;;/q7*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-14
InChIKeyBHJIRYNUYKYQCN-UHFFFAOYSA-A
XLogP-13.36
TPSA801.46 Ų
H-Bond Donors16
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001337.87
LogP ≤ 5-13.36
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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sulfate trihydrate
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diazanium;hydrazine;sulfate;hydrate
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Frequently Asked Questions

What is the IUPAC name of diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate?
The IUPAC name of diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate (CID 173175544) is diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate.
What is the SMILES notation for diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate?
The canonical SMILES for diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate is O.O.O.O.O=S(=O)([O-])[O-].O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.[NH4+].[NH4+].
What is the InChIKey of diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate?
The InChIKey is BHJIRYNUYKYQCN-UHFFFAOYSA-A. The full InChI is InChI=1S/7Mo.2H3N.H2O4S.18H2O.14O/c;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;2*1H3;(H2,1,2,3,4);18*1H2;;;;;;;;;;;;;;/q7*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-14.
What are the key properties of diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate?
diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate has a molecular weight of 1337.87 g/mol, XLogP of -13.36, 0 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;heptakis(dihydroxy(dioxo)molybdenum);sulfate;tetrahydrate is sourced from PubChem (CID 173175544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).