CID 20364327
PubChem CID
20364327
Structure
Molecular Formula
Status
Non-live
Molecular Weight
472.4 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
dialuminum;2-ethylhexan-1-ol;trisulfate
InChI=1S/C8H18O.2Al.3H2O4S/c1-3-5-6-8(4-2)7-9;;;3*1-5(2,3)4/h8-9H,3-7H2,1-2H3;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6
SOTRXFKFNYUSNW-UHFFFAOYSA-H
CCCCC(CC)CO.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]
C8H18Al2O13S3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
472.4 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
13
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
471.954031 g/mol
Property Name
Monoisotopic Mass
Property Value
471.954031 g/mol
Property Name
Topological Polar Surface Area
Property Value
286 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
115
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
6
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS