Name: 2',3',5'-tri-O-acetyl-2-amino-N-[(R)-1-(2-benzothiazolyl)thio-2-propyl]adenosine
SMILES:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N[C@H](C)CSc4nc5ccccc5s4)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C26H29N7O7S2
Molecular weight
615.69
Exact mass
615.157
XLogP
2.93
TPSA
182.67
H-bond donors
2
H-bond acceptors
15
Rotatable bonds
10
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
154.82
Supplementary Information
Details werden geladen…
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