الاسم: 3-(2-Chloro-5-((2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)-7-methylbenzo[e][1,2,4]triazine
SMILES:
Cc1ccc2nc(Cc3cc([C@@H]4O[C@H](COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)ccc3Cl)nnc2c1Molecular Processing
Molecular formula
C49H46ClN3O5
Molecular weight
792.38
Exact mass
791.3126
XLogP
9.99
TPSA
84.82
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
16
Heavy atoms
58
Rings
8
Aromatic rings
7
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.245
Molar refractivity
225.1
Supplementary Information
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