Molecule

ID:72982

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)33-16-5-3-12(7-18(16)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/t20-,23+,24-,25-/m1/s1
InChIKey
SEBFKMXJBCUCAI-HKTJVKLFSA-N
Canonic Smiles
OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
Isomeric Smiles
[C@H]1([C@H](Oc2c(O1)ccc(c2)[C@@H]1[C@@H](O)C(=O)c2c(O1)cc(cc2O)O)c1ccc(c(c1)OC)O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
2.47
LogD (pH = 5.5)
2.63
Log P
2.63
Rotatable Bonds
4
H Donor
5
H Acceptors
10
Lipinski's Rule of Five
true
Acid pKa
7.75
Polar Surface Area
155.14
Polarizability
48.67
Molar Refractivity
120.29
LOG S
-4.37
Data Source
Names and Identifiers
Registration numbers
Properties
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Molecular Spectra
Molecule Details
References
Bioactivity
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