SMILES:
O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O.c1ncc([C@@]23CN[C@H](CN2)C3)cn1.c1ncc([C@@]23CN[C@H](CN2)C3)cn1Molecular Processing
Molecular formula
C24H34N8O8
Molecular weight
562.58
Exact mass
562.25
XLogP
-4.13
TPSA
255.2
H-bond donors
10
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
40
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
3
Fraction Csp3
0.583
Molar refractivity
135.54
Supplementary Information
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