CC(=O)OC[C@H]1O[C@@H](n2cc(C(N)=S)nn2)[C@H](OC(C)=O)[C@@H]1OC(C)=O
Name: 1-(2,3,5-Tri-O-acetyl-β -D-ribofuranosyl)-1,2,3-triazole-4-thiocarboxamide
SMILES: CC(=O)OC[C@H]1O[C@@H](n2cc(C(N)=S)nn2)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Molecular Processing

Molecular formula
C14H18N4O7S
Molecular weight
386.39
Exact mass
386.0896
XLogP
-0.76
TPSA
144.86
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
87.56

Supplementary Information

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