Name: (+/−)-(1R*,2R*,3R*,4S*,6S*)-3-benzyloxycarbonylamino-tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid
SMILES:
O=C(N[C@]1(C(=O)O)[C@H]2C[C@H]3[C@@H]1[C@@]3(C(=O)O)C2)OCc1ccccc1Molecular Processing
Molecular formula
C17H17NO6
Molecular weight
331.32
Exact mass
331.1056
XLogP
1.48
TPSA
112.93
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
79.9
Supplementary Information
Details werden geladen…
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