Name: 3-[(4S,5S)-3-benzyloxycarbonyl-4-isobutyl-2,2-dimethyloxazolidin-5-yl]-2-[2-(2-tetrahydropyranyloxy)ethyl]-2-propenoic acid
SMILES:
CC(C)C[C@H]1[C@H](C=C(CCOC2CCCCO2)C(=O)O)OC(C)(C)N1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C27H39NO7
Molecular weight
489.61
Exact mass
489.2727
XLogP
5.12
TPSA
94.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
35
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.63
Molar refractivity
130.54
Supplementary Information
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