名称: (3S,7S,8R,9S)-8-(isobutyryloxy)-9-methyl-7-(naphthalen-1-ylmethyl)-2-oxo-1,5-dioxonan-3-aminium chloride
SMILES:
CC(C)C(=O)O[C@@H]1[C@@H](Cc2cccc3ccccc23)COC[C@H]([NH3+])C(=O)O[C@H]1C.[Cl-]Molecular Processing
Molecular formula
C23H30ClNO5
Molecular weight
435.95
Exact mass
435.1813
XLogP
-0.86
TPSA
89.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.478
Molar refractivity
108.91
Supplementary Information
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