Molecule

ID:132022

General Information

Structure

MolImage

Molecular Formula

C₆H₁₂O₅

Molecular Mass

166.14902199

Exact Mass

166.07171547

Charge

0

InChI

InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/i5+2

InChIKey

PMMURAAUARKVCB-RHRFEJLCSA-N

Canonic Smiles

OCC1O[14CH](O)CC(C1O)O

Isomeric Smiles

C1C(C(C(O[14CH]1O)CO)O)O

Calculated Properties

JChem

Acid pKa

12.294304

H Acceptors

5

H Donor

4

LogD (pH = 5.5)

-2.0319011

LogD (pH = 7.4)

-2.0319066

Log P

-2.0319011

Molar Refractivity

34.4127

Polarizability

14.43744

Polar Surface Area

90.15

Rotatable Bonds

1

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