이름: (4aS,6S,7R,7aR)-6,7-epoxy-1,4a,5,6,7,7a-hexahydro-1-hydroxy-7-methylcyclopenta [c] pyrane-4-carboxylic acid methylester
SMILES:
COC(=O)C1=COC(O)[C@@H]2[C@@H]1C[C@@H]1O[C@@]12CMolecular Processing
Molecular formula
C11H14O5
Molecular weight
226.23
Exact mass
226.0841
XLogP
0.19
TPSA
68.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
52.07
Supplementary Information
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