Molecule

ID:72983

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₂O₁₀
Molecular Mass
482.43618
Exact Mass
482.1212969
Charge
0
InChI
InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
InChIKey
FDQAOULAVFHKBX-UHFFFAOYSA-N
Canonic Smiles
OCC1Oc2cc(ccc2OC1c1ccc(c(c1)OC)O)C1Oc2cc(O)cc(c2C(=O)C1O)O
Isomeric Smiles
c1(cc(ccc1O)C1C(Oc2c(O1)ccc(c2)C1C(O)C(=O)c2c(O1)cc(cc2O)O)CO)OC
Calculated Properties
JChem
Acid pKa
7.811773
H Acceptors
10
H Donor
5
LogD (pH = 5.5)
2.6272182
LogD (pH = 7.4)
2.4878588
Log P
2.629316
Molar Refractivity
120.2939
Polarizability
46.884537
Polar Surface Area
155.14
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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