الاسم: N-{(1S,2R,3S,4R)-4-[6-((S)-1-benzyl-2-hydroxy-ethylamino)-2-chloro-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-2-hydroxy-acetamide
SMILES:
O=C(CO)N[C@H]1C[C@@H](n2cnc3c(N[C@H](CO)Cc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1OMolecular Processing
Molecular formula
C21H25ClN6O5
Molecular weight
476.92
Exact mass
476.1575
XLogP
-0.36
TPSA
165.65
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
119.66
Supplementary Information
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