PIPERAZINE 1,3,4,5-TETRAHYDROXYCYCLOHEXANE-1-CARBOXYLATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key ILELYUFCZWQXGV-UHFFFAOYSA-N
Smiles OC1CC(O)(CC(O)C1O)C(=O)O.C2CNCCN2
InChI
InChI=1/C7H12O6.C4H10N2/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;1-2-6-4-3-5-1/h3-5,8-10,13H,1-2H2,(H,11,12);5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22N2O6
Molecular Weight 278.15
AlogP -3.14
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 1.0
Polar Surface Area 142.28
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 59766-07-3
NORMAN SUSDAT
CONTENTS