alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate

H30AlO16RbS — CID 174704818

IUPACalumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(O)O.[AlH3].[H-].[Rb+]
InChIInChI=1S/Al.H2O4S.12H2O.Rb.4H/c;1-5(2,3)4;;;;;;;;;;;;;;;;;/h;(H2,1,2,3,4);12*1H2;;;;;/q;;;;;;;;;;;;;;+1;;;;-1
InChIKeyLRXXZXIAFNAVJE-UHFFFAOYSA-N
MW430.74 g/mol
LogP-14.62
Rot. Bonds

About alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate

alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate (PubChem CID 174704818) has the molecular formula H30AlO16RbS and a molecular weight of 430.74 g/mol. Its IUPAC name is alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate.

Molecular Properties

Compound Namealumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate
PubChem CID174704818
Molecular FormulaH30AlO16RbS
Molecular Weight430.74 g/mol
Exact Mass430.02
IUPAC Namealumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(O)O.[AlH3].[H-].[Rb+]
InChIInChI=1S/Al.H2O4S.12H2O.Rb.4H/c;1-5(2,3)4;;;;;;;;;;;;;;;;;/h;(H2,1,2,3,4);12*1H2;;;;;/q;;;;;;;;;;;;;;+1;;;;-1
InChIKeyLRXXZXIAFNAVJE-UHFFFAOYSA-N
XLogP-14.62
TPSA452.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.74
LogP ≤ 5-14.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tricalcium;alumane;hydride;sulfuric acid;hydrate
CID 175130797
alumane;sulfuric acid;hexahydrate
CID 174932074
alumane;sulfuric acid;hexadecahydrate
CID 172999290
alumane;sulfuric acid;hexahydrate
CID 173018809
potassium;sodium;alumane;hydride;sulfuric acid;tetracosahydrate
CID 173345669
dicalcium;hydride;sulfuric acid;pentahydrate
CID 173205930
lithium;sodium;hydride;sulfuric acid;dihydrate
CID 174867340
dicalcium;hydride;sulfuric acid;hydrate
CID 173153468
dipotassium;hydride;sulfuric acid;hydrate
CID 173076928
potassium;hydride;sulfuric acid;dodecahydrate
CID 173335456
dicalcium;hydride;sulfuric acid;dihydrate
CID 173090602
alumane;sulfuric acid
CID 173042837

Frequently Asked Questions

What is the IUPAC name of alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate?
The IUPAC name of alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate (CID 174704818) is alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate.
What is the SMILES notation for alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate?
The canonical SMILES for alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(O)O.[AlH3].[H-].[Rb+].
What is the InChIKey of alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate?
The InChIKey is LRXXZXIAFNAVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.H2O4S.12H2O.Rb.4H/c;1-5(2,3)4;;;;;;;;;;;;;;;;;/h;(H2,1,2,3,4);12*1H2;;;;;/q;;;;;;;;;;;;;;+1;;;;-1.
What are the key properties of alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate?
alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate has a molecular weight of 430.74 g/mol, XLogP of -14.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate is sourced from PubChem (CID 174704818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).