COC1O[C@H](C(C)OC(=O)c2ccccc2)C[C@@H]1OS(=O)(=O)C(F)(F)F
名称: 1-[(2S,4S)-5-methoxy-4-(trifluoromethylsulfonyloxy)tetrahydrofuran-2-yl]ethyl benzoate
SMILES: COC1O[C@H](C(C)OC(=O)c2ccccc2)C[C@@H]1OS(=O)(=O)C(F)(F)F

Molecular Processing

Molecular formula
C15H17F3O7S
Molecular weight
398.36
Exact mass
398.0647
XLogP
2.23
TPSA
88.13
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
81.45

Supplementary Information

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