Name: S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl) thiopseudourea hydrobromide
SMILES:
Br.CC(=O)OC[C@H]1O[C@@H](SC(=N)N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C15H23BrN2O9S
Molecular weight
487.33
Exact mass
486.0308
XLogP
0.27
TPSA
164.3
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
28
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.667
Molar refractivity
101.78
Supplementary Information
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Involved in 2 reactions→