Molecule

ID:128415

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂O₆
Molecular Mass
358.38508
Exact Mass
358.14163842
Charge
0
InChI
InChI=1S/C20H22O6/c1-18(2)11-6-19(24)7-14(22)20(25,16(11)17(19)23)12-8-26-13-5-9(21)3-4-10(13)15(12)18/h3-5,8,11,15-17,21,23-25H,6-7H2,1-2H3/t11-,15+,16?,17+,19+,20-/m0/s1
InChIKey
RJKLDOLOCIQYFS-LGWSCOPASA-N
Canonic Smiles
Oc1ccc2c(c1)OC=C1[C@@H]2C(C)(C)[C@@H]2[C@@H]3[C@@]1(O)C(=O)C[C@](C2)([C@@H]3O)O
Isomeric Smiles
O=C1C[C@@]2(O)[C@H](O)[C@@H]3[C@H](C2)C(C)(C)[C@@H]2c4ccc(O)cc4OC=C2[C@]13O
Calculated Properties
JChem
Acid pKa
9.372821
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
0.43107027
LogD (pH = 7.4)
0.42655748
Log P
0.4311281
Molar Refractivity
91.732
Polarizability
36.21987
Polar Surface Area
107.22
Rotatable Bonds
0
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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