Molecule

ID:3510

General Information
Structure
Molecular Formula
C₁₀H₁₈O₉
Molecular Mass
282.24452
Exact Mass
282.09508216
Charge
0
InChI
InChI=1S/C10H18O9/c11-1-4-5(13)6(14)10(18-4)19-8-3(12)2-17-9(16)7(8)15/h3-16H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10-/m0/s1
InChIKey
XAQWBYJKZNCZPL-BAUARHHTSA-N
Canonic Smiles
OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](O)CO[C@@H]([C@H]1O)O
Isomeric Smiles
OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.272141
H Acceptors
9
H Donor
6
LogD (pH = 5.5)
-3.4427056
LogD (pH = 7.4)
-3.4427633
Log P
-3.442705
Molar Refractivity
56.4117
Polarizability
23.939238
Polar Surface Area
149.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.92
LOG S
0.36
Solubility (Water)
6.43e+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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