C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
Nombre: epothilone D
SMILES: C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1

Molecular Processing

Molecular formula
C27H41NO5S
Molecular weight
491.69
Exact mass
491.2705
XLogP
5.27
TPSA
96.72
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
34
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
136.35

Supplementary Information

No supplementary data available

Participa en 23 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→