CCCCOc1cccc(C[C@H](NC(C)=O)[C@H](O)[C@H]2CO[C@@H](OCC(C)(C)C)[C@H](C)N2C(=O)OC(C)(C)C)c1
SMILES: CCCCOc1cccc(C[C@H](NC(C)=O)[C@H](O)[C@H]2CO[C@@H](OCC(C)(C)C)[C@H](C)N2C(=O)OC(C)(C)C)c1

Molecular Processing

Molecular formula
C30H50N2O7
Molecular weight
550.74
Exact mass
550.3618
XLogP
4.69
TPSA
106.56
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
39
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.733
Molar refractivity
150.63

Supplementary Information

Récupération des détails…

Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→