名称: 2,6-dichloro-9-(2,3-di-O-acetyl-5-O-methyl-β-D-ribofuranosyl)-purine
SMILES:
COC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C15H16Cl2N4O6
Molecular weight
419.22
Exact mass
418.0447
XLogP
1.54
TPSA
114.66
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
27
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
0.533
Molar refractivity
92.24
Supplementary Information
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