الاسم: Acetic acid [(1S,2R,3S,4R)-4-(2,6-dichloro-purin-9-yl)-2,3-dihydroxy-cyclopentyl-carbamoyl]-methyl ester
SMILES:
CC(=O)OCC(=O)N[C@H]1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](O)[C@@H]1OMolecular Processing
Molecular formula
C14H15Cl2N5O5
Molecular weight
404.21
Exact mass
403.045
XLogP
-0.15
TPSA
139.46
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
26
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
89.57
Supplementary Information
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