O=C(OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1
名称: 9-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-2,6-dichloro-9H-purine
SMILES: O=C(OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

Molecular Processing

Molecular formula
C31H22Cl2N4O7
Molecular weight
633.44
Exact mass
632.0866
XLogP
5.34
TPSA
131.73
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
44
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.161
Molar refractivity
157.27

Supplementary Information

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