Nombre: 2-nitro-4-(3′-ethyl-2′,4′,6′-triiodophenyl)-benzoyl-1,3,4,6-tetra-O-acetyl-D-glucosamine
SMILES:
CCc1c(I)cc(I)c(-c2ccc(C(=O)C3(OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3N)c([N+](=O)[O-])c2)c1IMolecular Processing
Molecular formula
C29H29I3N2O12
Molecular weight
978.27
Exact mass
977.8855
XLogP
4.23
TPSA
200.66
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
10
Heavy atoms
46
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
185.48
Supplementary Information
Obteniendo detalles…
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