名称: 4-nitrophenyl 1,5-dithio-β-D-xylopyranoside
SMILES:
O=[N+]([O-])c1ccc(S[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cc1Molecular Processing
Molecular formula
C11H13NO5S2
Molecular weight
303.36
Exact mass
303.0235
XLogP
0.84
TPSA
103.83
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
73.22
Supplementary Information
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