SMILES:
CC(=O)O[C@H]1[C@H]2[C@H](OC(C)=O)CCC(O)N2C[C@H]1OC(C)=OMolecular Processing
Molecular formula
C14H21NO7
Molecular weight
315.32
Exact mass
315.1318
XLogP
-0.42
TPSA
102.37
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
72.4
Supplementary Information
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