Name: leucovorin calcium
SMILES:
Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2]Molecular Processing
Molecular formula
C20H21CaN7O7
Molecular weight
511.51
Exact mass
511.1128
XLogP
-3.37
TPSA
225.76
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
2
Fraction Csp3
0.3
Molar refractivity
120.12
Supplementary Information
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