Name: Adenosine 2',3',5'-triacetate
SMILES:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C16H19N5O7
Molecular weight
393.36
Exact mass
393.1284
XLogP
-0.27
TPSA
157.75
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
91.39
Supplementary Information
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