CCCCCCCCCCC[C@H](CC(=O)OC)OC(=O)C(Br)CCCCCC
Name: methyl (3R)-3-[(2-bromo-1-oxooctyl)oxy]-tetradecanoate
SMILES: CCCCCCCCCCC[C@H](CC(=O)OC)OC(=O)C(Br)CCCCCC

Molecular Processing

Molecular formula
C23H43BrO4
Molecular weight
463.5
Exact mass
462.2345
XLogP
7.12
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
19
Heavy atoms
28
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.913
Molar refractivity
119.83

Supplementary Information

Details werden geladen…

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