C1=CC=C(C=C1)COCC2C(C(C(C(O2)C3=CC(=C(C=C3)Cl)CC#N)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
الاسم: 2-[2-chloro-5-[(3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]acetonitrile
SMILES: C1=CC=C(C=C1)COCC2C(C(C(C(O2)C3=CC(=C(C=C3)Cl)CC#N)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Molecular Processing

Molecular formula
C42H40ClNO5
Molecular weight
674.24
Exact mass
673.2595
XLogP
8.82
TPSA
69.94
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
49
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.262
Molar refractivity
189.54

Supplementary Information

InChIKey: FRIBOEXQZIPXTL-GLTXCYADSA-N
مرادفات
SCHEMBL2130552FRIBOEXQZIPXTL-GLTXCYADSA-N2-(2-Chloro-5-((3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxy methyl)-tetrahydro-2H-pyran-2-yl)phenyl)acetonitrile2-(2-Chloro-5-((3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)-tetrahydro-2H-pyran-2-yl)phenyl)acetonitrile
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