Molecule

ID:129425

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆O₆
Molecular Mass
362.41684
Exact Mass
362.17293855
Charge
0
InChI
InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3
InChIKey
PUETUDUXMCLALY-UHFFFAOYSA-N
Canonic Smiles
OCC(C(Cc1ccc(c(c1)OC)O)CO)Cc1ccc(c(c1)OC)O
Isomeric Smiles
COc1c(ccc(c1)CC(CO)C(Cc1cc(c(cc1)O)OC)CO)O
Calculated Properties
JChem
Acid pKa
9.963199
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
2.3328462
LogD (pH = 7.4)
2.331682
Log P
2.3328612
Molar Refractivity
99.287
Polarizability
38.320282
Polar Surface Area
99.38
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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