이름: 3-cyanophenyl 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]1Oc1cccc(C#N)c1Molecular Processing
Molecular formula
C18H19NO7S
Molecular weight
393.42
Exact mass
393.0882
XLogP
1.81
TPSA
111.92
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
27
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
0.444
Molar refractivity
94.69
Supplementary Information
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