Molecule

ID:71388

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆O₆
Molecular Mass
302.36334
Exact Mass
302.17293855
Charge
0
InChI
InChI=1S/C15H26O6/c1-13(2)16-7-9(18-13)11-12(21-15(5,6)20-11)10-8-17-14(3,4)19-10/h9-12H,7-8H2,1-6H3
InChIKey
CKECEWYVEGPMPE-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OC(C(O1)C1COC(O1)(C)C)C1COC(O1)(C)C
Isomeric Smiles
C1(C(C2OC(OC2)(C)C)OC(O1)(C)C)C1OC(OC1)(C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.377255
LogD (pH = 7.4)
1.377255
Log P
1.377255
Molar Refractivity
75.0246
Polarizability
30.416552
Polar Surface Area
55.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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