이름: 3-(2-chloro-5-((2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one
SMILES:
O=C1CNC(Cc2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)=NN1Molecular Processing
Molecular formula
C44H44ClN3O6
Molecular weight
746.3
Exact mass
745.2919
XLogP
7.33
TPSA
99.64
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
16
Heavy atoms
54
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
207.51
Supplementary Information
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