Name: benzyl 3-[3-({[(3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl}(propan-2-yl)amino)cyclobutyl]propanoate
SMILES:
CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)C1CC(CCC(=O)OCc2ccccc2)C1Molecular Processing
Molecular formula
C30H40N6O5
Molecular weight
564.69
Exact mass
564.306
XLogP
3.84
TPSA
126.85
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
41
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
151.3
Supplementary Information
Details werden geladen…
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