CC(=O)Oc1c(C)c(C)c2c(c1C)C(O)CC(C)(COc1ccc([N+](=O)[O-])cc1)O2
Nombre: 6-acetoxy-4-hydroxy-2,5,7,8-tetramethyl-2-(4-nitrophenoxymethyl)chroman
SMILES: CC(=O)Oc1c(C)c(C)c2c(c1C)C(O)CC(C)(COc1ccc([N+](=O)[O-])cc1)O2

Molecular Processing

Molecular formula
C22H25NO7
Molecular weight
415.44
Exact mass
415.1631
XLogP
4.1
TPSA
108.13
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
109.16

Supplementary Information

Obteniendo detalles…

Participa en 4 reacciones