Name: 1-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-3-(5-bromo-2-thienylmethyl)-4-chlorobenzene
SMILES:
CC(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(Br)s3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C25H26BrClO9S
Molecular weight
617.9
Exact mass
616.0169
XLogP
4.55
TPSA
114.43
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
137.19
Supplementary Information
Details werden geladen…
An 32 Reaktionen beteiligt→