Molecule

ID:85298

General Information
Structure
MolImage
Molecular Formula
C₃₁H₅₄O₁₀
Molecular Mass
586.75446
Exact Mass
586.37169793
Charge
0
InChI
InChI=1S/C31H54O10/c1-6-10-14-18-24(32)37-22-23-28(39-25(33)19-15-11-7-2)29(40-26(34)20-16-12-8-3)30(31(36-5)38-23)41-27(35)21-17-13-9-4/h23,28-31H,6-22H2,1-5H3/t23-,28-,29-,30+,31-/m1/s1
InChIKey
AQBYLXRIYWTXQY-MOGMISEOSA-N
Canonic Smiles
CCCCCC(=O)OC[C@H]1O[C@@H](OC)[C@H]([C@@H]([C@@H]1OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC
Isomeric Smiles
O1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1OC)OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC)COC(=O)CCCCC
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
7.6120563
LogD (pH = 7.4)
7.6120563
Log P
7.6120563
Molar Refractivity
151.0002
Polarizability
61.61805
Polar Surface Area
123.66
Rotatable Bonds
26
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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