Molecule

ID:136778

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₁₀
Molecular Mass
376.35576
Exact Mass
376.13694697
Charge
0
InChI
InChI=1S/C16H24O10/c1-6-21-16(5)25-14-13(23-10(4)19)12(22-9(3)18)11(7-20-8(2)17)24-15(14)26-16/h11-15H,6-7H2,1-5H3/t11-,12-,13+,14+,15+,16?/m1/s1
InChIKey
ULBLUAFHNLHIND-RQPDNDTESA-N
Canonic Smiles
CCOC1(C)O[C@@H]2[C@H](O1)O[C@@H]([C@H]([C@@H]2OC(=O)C)OC(=O)C)COC(=O)C
Isomeric Smiles
CCOC1(O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COC(=O)C)OC(=O)C)OC(=O)C)C
Calculated Properties
JChem
H Acceptors
7
H Donor
0
LogD (pH = 5.5)
0.778892
LogD (pH = 7.4)
0.778892
Log P
0.778892
Molar Refractivity
81.7923
Polarizability
34.146847
Polar Surface Area
115.82
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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