tricalcium;alumane;hydride;sulfuric acid;hydrate

H13AlCa3O5S — CID 175130797

IUPACtricalcium;alumane;hydride;sulfuric acid;hydrate
SMILESO.O=S(=O)(O)O.[AlH3].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/Al.3Ca.H2O4S.H2O.9H/c;;;;1-5(2,3)4;;;;;;;;;;/h;;;;(H2,1,2,3,4);1H2;;;;;;;;;/q;3*+2;;;;;;6*-1
InChIKeyFAANQIGIMYLYLP-UHFFFAOYSA-N
MW272.38 g/mol
LogP-3.13
Rot. Bonds

About tricalcium;alumane;hydride;sulfuric acid;hydrate

tricalcium;alumane;hydride;sulfuric acid;hydrate (PubChem CID 175130797) has the molecular formula H13AlCa3O5S and a molecular weight of 272.38 g/mol. Its IUPAC name is tricalcium;alumane;hydride;sulfuric acid;hydrate.

Molecular Properties

Compound Nametricalcium;alumane;hydride;sulfuric acid;hydrate
PubChem CID175130797
Molecular FormulaH13AlCa3O5S
Molecular Weight272.38 g/mol
Exact Mass271.92
IUPAC Nametricalcium;alumane;hydride;sulfuric acid;hydrate
SMILESO.O=S(=O)(O)O.[AlH3].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-]
InChIInChI=1S/Al.3Ca.H2O4S.H2O.9H/c;;;;1-5(2,3)4;;;;;;;;;;/h;;;;(H2,1,2,3,4);1H2;;;;;;;;;/q;3*+2;;;;;;6*-1
InChIKeyFAANQIGIMYLYLP-UHFFFAOYSA-N
XLogP-3.13
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 5-3.13
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 173090602
dicalcium;hydride;sulfuric acid;pentahydrate
CID 173205930
dicalcium;hydride;sulfuric acid;hydrate
CID 173153468
calcium;alumane;hydride;manganese;sulfuric acid
CID 173203697
alumane;hydride;rubidium(1+);sulfuric acid;dodecahydrate
CID 174704818
alumane;sulfuric acid;hexahydrate
CID 174932074
alumane;sulfuric acid;hexadecahydrate
CID 172999290
alumane;sulfuric acid;hexahydrate
CID 173018809
calcium;alumane;hydrazine;hydride;sulfuric acid
CID 174806327
potassium;sodium;alumane;hydride;sulfuric acid;tetracosahydrate
CID 173345669
dicalcium;azane;hydride;sulfuric acid;hydrate;hydrochloride
CID 174417210
dicalcium;hydride;sulfuric acid;hydrochloride
CID 173127277

Frequently Asked Questions

What is the IUPAC name of tricalcium;alumane;hydride;sulfuric acid;hydrate?
The IUPAC name of tricalcium;alumane;hydride;sulfuric acid;hydrate (CID 175130797) is tricalcium;alumane;hydride;sulfuric acid;hydrate.
What is the SMILES notation for tricalcium;alumane;hydride;sulfuric acid;hydrate?
The canonical SMILES for tricalcium;alumane;hydride;sulfuric acid;hydrate is O.O=S(=O)(O)O.[AlH3].[Ca+2].[Ca+2].[Ca+2].[H-].[H-].[H-].[H-].[H-].[H-].
What is the InChIKey of tricalcium;alumane;hydride;sulfuric acid;hydrate?
The InChIKey is FAANQIGIMYLYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.3Ca.H2O4S.H2O.9H/c;;;;1-5(2,3)4;;;;;;;;;;/h;;;;(H2,1,2,3,4);1H2;;;;;;;;;/q;3*+2;;;;;;6*-1.
What are the key properties of tricalcium;alumane;hydride;sulfuric acid;hydrate?
tricalcium;alumane;hydride;sulfuric acid;hydrate has a molecular weight of 272.38 g/mol, XLogP of -3.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;alumane;hydride;sulfuric acid;hydrate is sourced from PubChem (CID 175130797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).