Name: [(3S,4S,5R,6S)-4,5-diacetyloxy-6-(2,2,2-trichloroethanimidoyl)oxythian-3-yl] acetate
SMILES:
CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)OC(=N)C(Cl)(Cl)ClMolecular Processing
Molecular formula
C13H16Cl3NO7S
Molecular weight
436.7
Exact mass
434.9713
XLogP
2.22
TPSA
111.98
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
92.01
Supplementary Information
InChIKey: AIYZSOOLMTXXQW-YTWAJWBKSA-N
Synonyme
SCHEMBL4862028AIYZSOOLMTXXQW-YTWAJWBKSA-N2,3,4-tri-O-acetyl-5-thio-alpha-D-xylopyranosyl trichloroacetimidate
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