이름: 3-O-allyl-2,4,6-tri-O-benzoyl-α-D-mannopyranosyl trichloroacetimidate
SMILES:
C=CCO[C@@H]1[C@H](OC(=O)c2ccccc2)[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1Molecular Processing
Molecular formula
C32H28Cl3NO9
Molecular weight
676.93
Exact mass
675.083
XLogP
5.95
TPSA
130.44
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
45
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
165.72
Supplementary Information
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