Molecule

ID:103604

General Information
Structure
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Molecular Formula
C₂₈H₅₀O₈
Molecular Mass
514.6918
Exact Mass
514.35056856
Charge
0
InChI
InChI=1S/C28H50O8/c1-27(2,3)24-28(4,5)25-6-8-26(9-7-25)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29/h6-9,29H,10-24H2,1-5H3
InChIKey
HNLXNOZHXNSSPN-UHFFFAOYSA-N
Canonic Smiles
OCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C
Isomeric Smiles
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1
Calculated Properties
JChem
Acid pKa
15.121156
H Acceptors
8
H Donor
1
LogD (pH = 5.5)
3.8648794
LogD (pH = 7.4)
3.8648794
Log P
3.8648794
Molar Refractivity
141.9661
Polarizability
56.230316
Polar Surface Area
84.84
Rotatable Bonds
24
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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