Name: 3,5-bis-benzyloxy-4-oxiranylmethyl-benzoic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)c1cc(OCc2ccccc2)c(CC2CO2)c(OCc2ccccc2)c1Molecular Processing
Molecular formula
C28H30O5
Molecular weight
446.54
Exact mass
446.2093
XLogP
5.74
TPSA
57.29
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
126.6
Supplementary Information
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