Name: (3R,4S,5S,6R)-2-[4-bromo-3-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-phenyl]-6-hydroxymethyl-2-methoxy-tetrahydro-pyran-3,4,5-triol
SMILES:
COC1(c2ccc(Br)c(Cc3ccc4c(c3)OCCO4)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OMolecular Processing
Molecular formula
C22H25BrO8
Molecular weight
497.34
Exact mass
496.0733
XLogP
1.08
TPSA
117.84
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
113.05
Supplementary Information
Details werden geladen…
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