Molecule

ID:109857

General Information

Structure

MolImage

Molecular Formula

C₆H₁₄O₆

Molecular Mass

182.17176

Exact Mass

182.07903817

Charge

0

InChI

InChI=1S/C6H14O6/c7-2-4(8)3-12-6(11)1-5(9)10/h4-11H,1-3H2

InChIKey

RRTDVFMNYMZDIQ-UHFFFAOYSA-N

Canonic Smiles

OCC(COC(CC(O)O)O)O

Isomeric Smiles

OCC(O)COC(O)CC(O)O

Calculated Properties

JChem

Acid pKa

12.039632

H Acceptors

6

H Donor

5

LogD (pH = 5.5)

-2.6820128

LogD (pH = 7.4)

-2.6820226

Log P

-2.6820126

Molar Refractivity

38.0712

Polarizability

15.840408

Polar Surface Area

110.38

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity