الاسم: (3S,7S,8R,9S)-3-amino-8-isobutoxy-9-methyl-7-(4-methylbenzyl)-1,5-dioxonan-2-one
SMILES:
Cc1ccc(C[C@H]2COC[C@H](N)C(=O)O[C@@H](C)[C@@H]2OCC(C)C)cc1Molecular Processing
Molecular formula
C20H31NO4
Molecular weight
349.47
Exact mass
349.2253
XLogP
2.48
TPSA
70.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
97.3
Supplementary Information
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