Molecule

ID:132578

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₂O₂₁
Molecular Mass
666.57768
Exact Mass
666.22185836
Charge
0
InChI
InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22+,23+,24+/m1/s1
InChIKey
LUEWUZLMQUOBSB-YQGOCCRESA-N
Canonic Smiles
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](OC([C@@H]([C@H]1O)O)O)CO)CO)CO)O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-8.25
LogD (pH = 5.5)
-8.25
Log P
-8.25
Rotatable Bonds
10
H Donor
14
H Acceptors
21
Lipinski's Rule of Five
false
Acid pKa
11.19
Polar Surface Area
347.83
Polarizability
61.74
Molar Refractivity
133.16
LOG S
1.48
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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