Molecule

ID:4224

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₂O₁₁
Molecular Mass
494.57298
Exact Mass
494.27271216
Charge
0
InChI
InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
InChIKey
RVTGFZGNOSKUDA-ZNGNCRBCSA-N
Canonic Smiles
OC[C@H]1O[C@@H](OCCCCCC2CCCCC2)[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](OCCCCCC3CCCCC3)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)
-0.24564432
LogD (pH = 7.4)
-0.24565667
Log P
-0.24564417
Molar Refractivity
117.3139
Polarizability
48.25462
Polar Surface Area
178.53
Rotatable Bonds
11
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
0.28
LOG S
-2.0
Solubility (Water)
4.92e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation