Molecule

ID:3761

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₆
Molecular Mass
264.31536
Exact Mass
264.15728849
Charge
0
InChI
InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9+,10+,11-,12-/m1/s1
InChIKey
JVAZJLFFSJARQM-YBXAARCKSA-N
Canonic Smiles
CCCCCCO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
[C@H]1(OCCCCCC)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO
Calculated Properties
JChem
Acid pKa
12.210987
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-0.07637645
LogD (pH = 7.4)
-0.07638308
Log P
-0.07637637
Molar Refractivity
63.7502
Polarizability
26.084854
Polar Surface Area
99.38
Rotatable Bonds
7
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.14
LOG S
-0.67
Solubility (Water)
5.70e+01 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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