Compound Information
Helptop of page
CID 3161
Create Date: 2005-03-25
Deprecated compound

No substance information
Properties and Descriptors
Helptop of page
Properties
Molecular Weight 444.43456 [g/mol]
Molecular FormulaC22H24N2O8
XLogP30
H-Bond Donor6
H-Bond Acceptor10
Rotatable Bond Count1
Exact Mass444.153266
MonoIsotopic Mass444.153266
Topological Polar Surface Area182
Heavy Atom Count32
Formal Charge0
Complexity956
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES