CC(=O)NC1=NC2=C(C(=N1)Cl)SC(=O)N2C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C
الاسم: [(2R,3R,4R,5R)-5-(5-acetamido-7-chloro-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
SMILES: CC(=O)NC1=NC2=C(C(=N1)Cl)SC(=O)N2C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C

Molecular Processing

Molecular formula
C18H19ClN4O9S
Molecular weight
502.89
Exact mass
502.0561
XLogP
0.79
TPSA
165.01
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
112.64

Supplementary Information

InChIKey: MPDMYPSXUPCPEK-DSZLRUIBSA-N
مرادفات
SCHEMBL3235464MPDMYPSXUPCPEK-DSZLRUIBSA-N5-Acetylamino-7-chloro-3-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)-thiazolo[4,5-d]pyrimidin-2-one5-Acetylamino-7-chloro-3-(2,3,5'-tri-O-acetyl-beta-D-ribofuranosyl)-thiazolo[4,5-d]pyrimidin-2-one
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