Molecule

ID:108592

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆O₁₂
Molecular Mass
434.39184
Exact Mass
434.14242627
Charge
0
InChI
InChI=1S/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3
InChIKey
NJVBTKVPPOFGAT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OC(C(C(OC(=O)C)COC(=O)C)OC(=O)C)C(OC(=O)C)COC(=O)C
Isomeric Smiles
CC(=O)OCC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(COC(=O)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-1.0832664
LogD (pH = 7.4)
-1.0832664
Log P
-1.0832664
Molar Refractivity
93.3126
Polarizability
38.90281
Polar Surface Area
157.8
Rotatable Bonds
17
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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