Molecule

ID:74449

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₆
Molecular Mass
234.24632
Exact Mass
234.1103383
Charge
0
InChI
InChI=1S/C10H18O6/c1-5(2)15-9(13)7(11)8(12)10(14)16-6(3)4/h5-8,11-12H,1-4H3/t7-,8-/m1/s1
InChIKey
XEBCWEDRGPSHQH-HTQZYQBOSA-N
Canonic Smiles
O[C@H]([C@H](C(=O)OC(C)C)O)C(=O)OC(C)C
Isomeric Smiles
C(C)(C)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(C)C
Calculated Properties
JChem
Acid pKa
11.185941
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.009753288
LogD (pH = 7.4)
0.009683163
Log P
0.009754182
Molar Refractivity
54.0864
Polarizability
22.078806
Polar Surface Area
93.06
Rotatable Bonds
7
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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