Molecule

ID:133501

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄O₁₀
Molecular Mass
424.39856
Exact Mass
424.13694697
Charge
0
InChI
InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1
InChIKey
SQOJOAFXDQDRGF-MMQTXUMRSA-N
Canonic Smiles
O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13[C@]4([C@H]2O)[C@H](OC3=O)C[C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C
Isomeric Smiles
C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]13C(=O)O[C@H]4[C@]1([C@H]2O)[C@@]1([C@@H](C4)C(C)(C)C)[C@H](C(=O)O[C@H]1O3)O)O
Calculated Properties
JChem
Acid pKa
11.709941
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
-0.5822128
LogD (pH = 7.4)
-0.5822338
Log P
-0.58221257
Molar Refractivity
91.382
Polarizability
38.405952
Polar Surface Area
148.82
Rotatable Bonds
1
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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