Nombre: 2-acetylphenyl 2,3,4-tri-O-acetyl-5-thio-β-D-xylopyranoside
SMILES:
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccccc1C(C)=OMolecular Processing
Molecular formula
C19H22O8S
Molecular weight
410.44
Exact mass
410.1035
XLogP
2.14
TPSA
105.2
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
99.98
Supplementary Information
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