Molecule

ID:118994

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₃
Molecular Mass
132.15768
Exact Mass
132.07864424
Charge
0
InChI
InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKey
RNVYQYLELCKWAN-RXMQYKEDSA-N
Canonic Smiles
OC[C@@H]1COC(O1)(C)C
Isomeric Smiles
C1(O[C@@H](CO1)CO)(C)C
Calculated Properties
JChem
Acid pKa
14.596533
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.13658941
LogD (pH = 7.4)
-0.13658944
Log P
-0.13658941
Molar Refractivity
32.7231
Polarizability
13.110614
Polar Surface Area
38.69
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
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