Nc1nc(=O)c2c([nH]1)NCC(CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C2
Name: 5,10-dideazatetrahydrofolate
SMILES: Nc1nc(=O)c2c([nH]1)NCC(CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C2

Molecular Processing

Molecular formula
C21H25N5O6
Molecular weight
443.46
Exact mass
443.1805
XLogP
0.62
TPSA
187.5
H-bond donors
6
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
115.48

Supplementary Information

Details werden geladen…

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