Home > Product Catalog > Product category > Nucleoside > 1-[(5R,6R,8R,9R)-9-(Acetyloxy)-4-amino-6-[(benzoyloxy)methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethyl-2,4(1H,3H)-pyrimidinedione

1-[(5R,6R,8R,9R)-9-(Acetyloxy)-4-amino-6-[(benzoyloxy)methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethyl-2,4(1H,3H)-pyrimidinedione

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Catalog No. : NC418165

CAS No. : 1039539-95-1

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₂H₂₃N₃O₁₀S

Chemical Name : 1-[(5R,6R,8R,9R)-9-(Acetyloxy)-4-amino-6-[(benzoyloxy)methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethyl-2,4(1H,3H)-pyrimidinedione

Molecular Weight : 521.50

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Basic information

Standard English name
Cas No.	1039539-95-1
Alias	((5R,6R,8R,9R)-9-acetoxy-4-amino-8-(3,5-dimethyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-6-yl)methyl benzoate
Canonical Smiles	CN1C(=O)C(C)=CN([C@@H]2O[C@H](COC(=O)C3C=CC=CC=3)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2OC(C)=O)C1=O
MDL No.
Exact Mass	521.11042
Smiles	O=C1N(C)C(C(C)=CN1[C@@H]([C@@H]2OC(C)=O)O[C@H](COC(C3=CC=CC=C3)=O)[C@@]42C(N)=CS(O4)(=O)=O)=O

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Inchi	InChI=1S/C22H23N3O10S/c1-12-9-25(21(29)24(3)18(12)27)19-17(33-13(2)26)22(15(23)11-36(30,31)35-22)16(34-19)10-32-20(28)14-7-5-4-6-8-14/h4-9,11,16-17,19H,10,23H2,1-3H3/t16-,17+,19-,22-/m1/s1
InchiKey	QTYZSFRNYVNTKZ-ZRAXVTTISA-N
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