Molecule

ID:106134

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₂O₉
Molecular Mass
464.50548
Exact Mass
464.2046326
Charge
0
InChI
InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)
InChIKey
FQYGGFDZJFIDPU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1OC(OC2CC3C(C2O)(C)CCC2C3CCc3c2ccc(c3)O)C(C(C1O)O)O
Isomeric Smiles
CC12CCC3C(CCc4cc(O)ccc34)C1CC(OC1OC(C(O)C(O)C1O)C(=O)O)C2O
Calculated Properties
JChem
Acid pKa
3.4572768
H Acceptors
9
H Donor
6
LogD (pH = 5.5)
-0.81267804
LogD (pH = 7.4)
-2.1681907
Log P
1.2200366
Molar Refractivity
113.5469
Polarizability
45.549683
Polar Surface Area
156.91
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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