Molecule

ID:4235

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀O₈
Molecular Mass
350.4046
Exact Mass
350.19406792
Charge
0
InChI
InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13+,14+,15-,16-/m1/s1
InChIKey
ZJZBQHWSENWEMY-DZQJYWQESA-N
Canonic Smiles
COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
12.210987
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
0.08298183
LogD (pH = 7.4)
0.08297521
Log P
0.082981914
Molar Refractivity
83.9877
Polarizability
34.26607
Polar Surface Area
125.68
Rotatable Bonds
12
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.46
LOG S
-1.71
Solubility (Water)
6.89e+00 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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