CCC(=O)OC1C(COC(C)=O)OC(n2cc3[nH]c(=O)c4c(=O)[nH]ncc(n2)c34)C1OC(C)=O
SMILES: CCC(=O)OC1C(COC(C)=O)OC(n2cc3[nH]c(=O)c4c(=O)[nH]ncc(n2)c34)C1OC(C)=O

Molecular Processing

Molecular formula
C20H21N5O9
Molecular weight
475.41
Exact mass
475.1339
XLogP
-0.32
TPSA
184.56
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
112.54

Supplementary Information

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