Nom: 2,4-dicyanophenyl 2,3,4-tri-O-acetyl-1,5-dithio-β-D-xylopyranoside
SMILES:
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2ccc(C#N)cc2C#N)SC[C@H]1OC(C)=OMolecular Processing
Molecular formula
C19H18N2O6S2
Molecular weight
434.5
Exact mass
434.0606
XLogP
2.39
TPSA
126.48
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
104.64
Supplementary Information
Récupération des détails…
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