For research use only. Not for therapeutic Use.
| Catalog Number | R045824 |
| CAS Number | 731772-50-2 |
| Synonyms | 5-[[(1R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]-2,4,6,8-tetraoxa-5-phosphanonanedioic acid Bis(1-methylethyl) ester, 5-oxide, (2E)-2-butenedioate (1:1), mixt. with 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2(1H)-pyr |
| Molecular Formula | C45H53ClF4N9O19PS |
| Purity | ≥95% |
| Storage | Room temperature |
| IUPAC Name | 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid;(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one |
| InChI | InChI=1S/C19H30N5O10P.C14H9ClF3NO2.C8H10FN3O3S.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8;9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);3-4,7-8H,1-2H2,(H,19,20);1,5-6,13H,2-3H2,(H2,10,11,14);1-2H,(H,5,6)(H,7,8)/b;;;2-1+/t14-;13-;5-,6+;/m100./s1 |
| InChIKey | QDRMCFDXPIEYGX-NWRGJBOJSA-N |
| SMILES | CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F.C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F.C(=CC(=O)O)C(=O)O |
