Molecule

ID:3148

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₄O₁₁
Molecular Mass
508.59956
Exact Mass
508.28836223
Charge
0
InChI
InChI=1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m0/s1
InChIKey
WUCWJXGMSXTDAV-CLCPMULISA-N
Canonic Smiles
OC[C@@H]1O[C@@H](OCCCCCCC2CCCCC2)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O)O)O
Isomeric Smiles
OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCC3CCCCC3)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.939976
H Acceptors
11
H Donor
7
LogD (pH = 5.5)
0.19892435
LogD (pH = 7.4)
0.198912
Log P
0.1989245
Molar Refractivity
121.9149
Polarizability
50.077152
Polar Surface Area
178.53
Rotatable Bonds
12
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
0.66
LOG S
-2.25
Solubility (Water)
2.89e+00 g/l
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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