Название: methyl (1R,2S,3R,4S)-3-{[(benzyloxy)carbonyl]amino}-7-oxabicyclo[2.2.1]heptane-2-carboxylate
SMILES:
COC(=O)[C@H]1[C@@H](NC(=O)OCc2ccccc2)[C@@H]2CC[C@H]1O2Molecular Processing
Molecular formula
C16H19NO5
Molecular weight
305.33
Exact mass
305.1263
XLogP
1.63
TPSA
73.86
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
76.95
Supplementary Information
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