Molecule

ID:129237

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₈
Molecular Mass
276.23994
Exact Mass
276.08451747
Charge
0
InChI
InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2
InChIKey
TYWXNGXVSZRXNA-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(OCC2C=CC(=O)O2)C(C(C1O)O)O
Isomeric Smiles
C1=CC(=O)OC1COC1C(C(C(C(O1)CO)O)O)O
Calculated Properties
JChem
Acid pKa
5.680058
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-2.0846748
LogD (pH = 7.4)
-3.5812082
Log P
-1.864555
Molar Refractivity
59.6232
Polarizability
24.241768
Polar Surface Area
125.68
Rotatable Bonds
4
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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