Molecule

ID:1828

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₁₀
Molecular Mass
326.29708
Exact Mass
326.1212969
Charge
0
InChI
InChI=1S/C12H22O10/c13-2-4-1-5(15)7(16)12(20-4)22-10-6(3-14)21-11(19)9(18)8(10)17/h4-19H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12-/m0/s1
InChIKey
DSYGIMVFFQCOQZ-PWALRWBGSA-N
Canonic Smiles
OC[C@@H]1C[C@H](O)[C@H]([C@@H](O1)O[C@@H]1[C@H](CO)O[C@H]([C@@H]([C@H]1O)O)O)O
Isomeric Smiles
OC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O1)O[C@@H]1[C@H](CO)O[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.274627
H Acceptors
10
H Donor
7
LogD (pH = 5.5)
-4.013081
LogD (pH = 7.4)
-4.0131383
Log P
-4.01308
Molar Refractivity
67.2396
Polarizability
28.251106
Polar Surface Area
169.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-3.15
LOG S
0.23
Solubility (Water)
5.50e+02 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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