Name: 6-Chloro-9-[3-(diethoxyphosphorylmethoxy)propoxy]purine
SMILES:
CCOP(=O)(COCCCOn1cnc2c(Cl)ncnc21)OCCMolecular Processing
Molecular formula
C13H20ClN4O5P
Molecular weight
378.75
Exact mass
378.086
XLogP
2.54
TPSA
97.59
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
88.07
Supplementary Information
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