| SpectraBase Spectrum ID |
4SXS8xZKRE |
| Name |
[(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[acetyl-[(E)-4,4,4-trideuterio-3-[dideuterio(acetoxy)methyl]but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl acetate |
| Alternate Name(s) |
(2R,3R,4R,5R)-2-(6-(((E)-4-acetoxy-3-(methyl-d3)but-2-en-1-yl-4,4-d2)amino)-9H-purin-9-yl)-5-(acetoxymethyl)tetrahydrofuran-3,4-diyl diacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24D5N5O9 |
| InChI |
InChI=1S/C23H29N5O9/c1-12(8-33-13(2)29)6-7-24-21-18-22(26-10-25-21)28(11-27-18)23-20(36-16(5)32)19(35-15(4)31)17(37-23)9-34-14(3)30/h6,10-11,17,19-20,23H,7-9H2,1-5H3,(H,24,25,26)/b12-6+/t17-,19-,20-,23-/m1/s1/i1D3,8D2 |
| InChIKey |
HPLIXZZBRXYQRL-YYBNFBGKSA-N |
| Literature Reference DOI |
10.1002_(SICI)1099-1565(199603)7_2_57 |
| Molecular Weight |
524.542 g/mol |
| SMILES |
N(c1ncnc2c1nc[n]2[C@]1([C@](OC(C)=O)([C@](OC(C)=O)([C@@](COC(C)=O)(O1)[H])[H])[H])[H])C\C=C\(C([2D])([2D])OC(C)=O)C([2D])([2D])[2D] |
| SPLASH |
splash10-0a4l-9270000000-efd33177edcfc1335816 |
| Source of Spectrum |
PA-7-63-63_13 |
| Wiley ID |
1800147 |
![[(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[acetyl-[(E)-4,4,4-trideuterio-3-[dideuterio(acetoxy)methyl]but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl acetate](/api/spectrum/4SXS8xZKRE/structure.png?h=300&w=458 "[(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[acetyl-[(E)-4,4,4-trideuterio-3-[dideuterio(acetoxy)methyl]but-2-enyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl acetate")
