Molecule

ID:103626

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O₆
Molecular Mass
320.42168
Exact Mass
320.21988874
Charge
0
InChI
InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey
JDRSMPFHFNXQRB-IBEHDNSVSA-N
Canonic Smiles
CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O(CCCCCCCCCC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
Calculated Properties
JChem
Acid pKa
12.210987
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
1.7018982
LogD (pH = 7.4)
1.7018915
Log P
1.7018983
Molar Refractivity
82.1542
Polarizability
33.394142
Polar Surface Area
99.38
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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