alumane;sulfuric acid;hexadecahydrate

H37AlO20S — CID 172999290

IUPACalumane;sulfuric acid;hexadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(O)O.[AlH3]
InChIInChI=1S/Al.H2O4S.16H2O.3H/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;/h;(H2,1,2,3,4);16*1H2;;;
InChIKeyFAWWQQNZYXGFKU-UHFFFAOYSA-N
MW416.33 g/mol
LogP-15.03
Rot. Bonds

About alumane;sulfuric acid;hexadecahydrate

alumane;sulfuric acid;hexadecahydrate (PubChem CID 172999290) has the molecular formula H37AlO20S and a molecular weight of 416.33 g/mol. Its IUPAC name is alumane;sulfuric acid;hexadecahydrate.

Molecular Properties

Compound Namealumane;sulfuric acid;hexadecahydrate
PubChem CID172999290
Molecular FormulaH37AlO20S
Molecular Weight416.33 g/mol
Exact Mass416.14
IUPAC Namealumane;sulfuric acid;hexadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(O)O.[AlH3]
InChIInChI=1S/Al.H2O4S.16H2O.3H/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;/h;(H2,1,2,3,4);16*1H2;;;
InChIKeyFAWWQQNZYXGFKU-UHFFFAOYSA-N
XLogP-15.03
TPSA578.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 5-15.03
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

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CID 172737494
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Frequently Asked Questions

What is the IUPAC name of alumane;sulfuric acid;hexadecahydrate?
The IUPAC name of alumane;sulfuric acid;hexadecahydrate (CID 172999290) is alumane;sulfuric acid;hexadecahydrate.
What is the SMILES notation for alumane;sulfuric acid;hexadecahydrate?
The canonical SMILES for alumane;sulfuric acid;hexadecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(O)O.[AlH3].
What is the InChIKey of alumane;sulfuric acid;hexadecahydrate?
The InChIKey is FAWWQQNZYXGFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.H2O4S.16H2O.3H/c;1-5(2,3)4;;;;;;;;;;;;;;;;;;;/h;(H2,1,2,3,4);16*1H2;;;.
What are the key properties of alumane;sulfuric acid;hexadecahydrate?
alumane;sulfuric acid;hexadecahydrate has a molecular weight of 416.33 g/mol, XLogP of -15.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;sulfuric acid;hexadecahydrate is sourced from PubChem (CID 172999290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).