C[C@@H]1OC(O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.O=C([O-])c1ccc([N+](=O)[O-])cc1
Name: 2,3,4-tri-O-benzylfucopyranose p-nitrobenzoate
SMILES: C[C@@H]1OC(O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.O=C([O-])c1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C34H34NO9-
Molecular weight
600.64
Exact mass
600.2239
XLogP
4.44
TPSA
140.42
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
-1
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.265
Molar refractivity
159.04

Supplementary Information

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