SMILES:
C/C1=C2/[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(/C(C)=C3N=C(/C=C4N=C1[C@@H](CCC(N)=O)C\4(C)C)[C@@H](CCC(N)=O)[C@]\3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[Co].[OH3+]Molecular Processing
Molecular formula
C62H91CoN13O15P-
Molecular weight
1348.39
Exact mass
1347.5833
XLogP
2.39
TPSA
497.92
H-bond donors
9
H-bond acceptors
18
Rotatable bonds
26
Heavy atoms
92
Rings
8
Aromatic rings
2
Saturated rings
2
Aliphatic rings
6
Stereo centers
15
Undefined stereo
1
Formal charge
-1
Heteroatoms
30
Covalent units
3
Fraction Csp3
0.629
Molar refractivity
336.47
Supplementary Information
Details werden geladen…