Molecule

ID:133258

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₆
Molecular Mass
234.24632
Exact Mass
234.1103383
Charge
0
InChI
InChI=1S/C10H18O6/c1-10(2)15-7-6(12)5(4-11)14-9(13-3)8(7)16-10/h5-9,11-12H,4H2,1-3H3
InChIKey
NBCSDARMWTYPFT-UHFFFAOYSA-N
Canonic Smiles
COC1OC(CO)C(C2C1OC(O2)(C)C)O
Isomeric Smiles
CC1(OC2C(C(OC(C2O1)OC)CO)O)C
Calculated Properties
JChem
Acid pKa
13.028674
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.5869881
LogD (pH = 7.4)
-0.5869891
Log P
-0.5869881
Molar Refractivity
52.8816
Polarizability
21.878334
Polar Surface Area
77.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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