Name: 4-Cyano-2-(2,3,5-tri-O-acetyl-β -D- ribofuranosyl)-1,2,3-triazole
SMILES:
CC(=O)OC[C@H]1O[C@@H](n2ncc(C#N)n2)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C14H16N4O7
Molecular weight
352.3
Exact mass
352.1019
XLogP
-0.53
TPSA
142.63
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
76.39
Supplementary Information
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