CC(C)(C)OC(=O)CC(CC(COC(=O)C1=CC=CC=C1)O)O
Nombre: [(2S)-2,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl] benzoate
SMILES: CC(C)(C)OC(=O)CC(CC(COC(=O)C1=CC=CC=C1)O)O

Molecular Processing

Molecular formula
C17H24O6
Molecular weight
324.37
Exact mass
324.1573
XLogP
1.69
TPSA
93.06
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
83.82

Supplementary Information

InChIKey: AHXYUJKKWJLJCS-KZUDCZAMSA-N
Sinónimos
SCHEMBL5746225AHXYUJKKWJLJCS-KZUDCZAMSA-N(5S)-6-benzoyloxy-3,5-dihydroxyhexanoic tert-butyl ester
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