alumane;sulfuric acid;hexahydrate

H17AlO10S — CID 173018809

IUPACalumane;sulfuric acid;hexahydrate
SMILESO.O.O.O.O.O.O=S(=O)(O)O.[AlH3]
InChIInChI=1S/Al.H2O4S.6H2O.3H/c;1-5(2,3)4;;;;;;;;;/h;(H2,1,2,3,4);6*1H2;;;
InChIKeyKPJAIEJUCQEGFQ-UHFFFAOYSA-N
MW236.17 g/mol
LogP-6.78
Rot. Bonds

About alumane;sulfuric acid;hexahydrate

alumane;sulfuric acid;hexahydrate (PubChem CID 173018809) has the molecular formula H17AlO10S and a molecular weight of 236.17 g/mol. Its IUPAC name is alumane;sulfuric acid;hexahydrate.

Molecular Properties

Compound Namealumane;sulfuric acid;hexahydrate
PubChem CID173018809
Molecular FormulaH17AlO10S
Molecular Weight236.17 g/mol
Exact Mass236.04
IUPAC Namealumane;sulfuric acid;hexahydrate
SMILESO.O.O.O.O.O.O=S(=O)(O)O.[AlH3]
InChIInChI=1S/Al.H2O4S.6H2O.3H/c;1-5(2,3)4;;;;;;;;;/h;(H2,1,2,3,4);6*1H2;;;
InChIKeyKPJAIEJUCQEGFQ-UHFFFAOYSA-N
XLogP-6.78
TPSA263.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 5-6.78
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

alumane;sulfuric acid;hexahydrate
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alumane;sulfuric acid;hexadecahydrate
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alumane;sulfuric acid
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CID 71366893
tricalcium;alumane;hydride;sulfuric acid;hydrate
CID 175130797
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CID 174704818
sulfane;sulfuric acid;hydrate
CID 172737494
dysprosium;sulfuric acid;octahydrate
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azane;sulfuric acid;hexahydrate
CID 173404062
methane;sulfuric acid;hydrate
CID 174518914
chromium;sulfuric acid;hydrate
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Frequently Asked Questions

What is the IUPAC name of alumane;sulfuric acid;hexahydrate?
The IUPAC name of alumane;sulfuric acid;hexahydrate (CID 173018809) is alumane;sulfuric acid;hexahydrate.
What is the SMILES notation for alumane;sulfuric acid;hexahydrate?
The canonical SMILES for alumane;sulfuric acid;hexahydrate is O.O.O.O.O.O.O=S(=O)(O)O.[AlH3].
What is the InChIKey of alumane;sulfuric acid;hexahydrate?
The InChIKey is KPJAIEJUCQEGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.H2O4S.6H2O.3H/c;1-5(2,3)4;;;;;;;;;/h;(H2,1,2,3,4);6*1H2;;;.
What are the key properties of alumane;sulfuric acid;hexahydrate?
alumane;sulfuric acid;hexahydrate has a molecular weight of 236.17 g/mol, XLogP of -6.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;sulfuric acid;hexahydrate is sourced from PubChem (CID 173018809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).