이름: (2R,3R,4S,5S)-4-(benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate
SMILES:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Cl)nc(I)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1Molecular Processing
Molecular formula
C26H21ClIN5O6
Molecular weight
661.84
Exact mass
661.0225
XLogP
3.57
TPSA
134.53
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
146.93
Supplementary Information
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