Compound Information
Helptop of page
CID 6326101
Create Date: 2006-01-18
Deprecated compound

No substance information
Properties and Descriptors
Helptop of page
Properties
Molecular Weight 342.29648 [g/mol]
Molecular FormulaC12H22O11
XLogP3-3.7
H-Bond Donor8
H-Bond Acceptor11
Rotatable Bond Count5
Exact Mass342.116212
MonoIsotopic Mass342.116212
Topological Polar Surface Area190
Heavy Atom Count23
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Feature 3D Acceptor Count11
Feature 3D Donor Count8
Feature 3D Ring Count2
Effective Rotor Count7.2
Conformer Sampling RMSD0.8
CID Conformer Count15
Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES