名称: {9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purin-2-yl}methyl methanesulfonate
SMILES:
COC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(COS(C)(=O)=O)nc32)[C@H](O)[C@@H]1OMolecular Processing
Molecular formula
C27H31N5O7S
Molecular weight
569.64
Exact mass
569.1944
XLogP
1.81
TPSA
157.92
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
40
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
0.37
Molar refractivity
145.97
Supplementary Information
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