Nombre: product
SMILES:
CC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3COC(COC(N)=O)C3)C(C)C12.[Na+]Molecular Processing
Molecular formula
C16H21N2NaO7S
Molecular weight
408.41
Exact mass
408.0967
XLogP
-4.2
TPSA
142.22
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.688
Molar refractivity
88.27
Supplementary Information
Obteniendo detalles…
Participa en 11 reacciones→