이름: (+)-pinanediol 1-benzyloxycarbonylamino-2-phenylethane boronate
SMILES:
CC1(O)CCC2CC1(OB(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C2(C)CMolecular Processing
Molecular formula
C26H34BNO5
Molecular weight
451.37
Exact mass
451.253
XLogP
3.89
TPSA
88.02
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
127.23
Supplementary Information
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