Molecule

ID:2419

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O₆
Molecular Mass
250.28878
Exact Mass
250.14163842
Charge
0
InChI
InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3/t7-,8-,9+,10-,11-/m0/s1
InChIKey
RYIWDDCNJPSPRA-HHKYUTTNSA-N
Canonic Smiles
CCCCCO[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
CCCCCO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
12.210987
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-0.52094513
LogD (pH = 7.4)
-0.52095175
Log P
-0.520945
Molar Refractivity
59.1492
Polarizability
24.263332
Polar Surface Area
99.38
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.43
LOG S
-0.35
Solubility (Water)
1.12e+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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