Molecule

ID:125957

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄O₁₀
Molecular Mass
436.40926
Exact Mass
436.13694697
Charge
0
InChI
InChI=1S/C21H24O10/c22-8-17-18(28)19(29)20(30)21(31-17)11-6-10(14(25)7-15(11)26)12(23)3-1-9-2-4-13(24)16(27)5-9/h2,4-7,17-22,24-30H,1,3,8H2/t17-,18-,19+,20-,21+/m1/s1
InChIKey
IOVQHXCZLJLKOT-ADAARDCZSA-N
Canonic Smiles
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1cc(C(=O)CCc2ccc(c(c2)O)O)c(cc1O)O
Isomeric Smiles
c1cc(c(cc1CCC(=O)c1cc(c(cc1O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
7.433235
H Acceptors
10
H Donor
8
LogD (pH = 5.5)
0.48322088
LogD (pH = 7.4)
0.20370573
Log P
0.48821962
Molar Refractivity
106.8256
Polarizability
41.59805
Polar Surface Area
188.14
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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