2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine
PubChem CID: 11809635
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| Compound Synonyms | 161599-46-8, 2',3'-DI-O-ACETYL-5'-DEOXY-5-FLUOROCYTIDINE, 5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine, Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate, UNII-Q6KTK8KQR2, Q6KTK8KQR2, 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine, DTXSID40167207, EC 605-260-4, [(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate, (2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyltetrahydrofuran-3,4-diyl diacetate, 2', 3'-Di-O-acetyl-5'-Deoxy-5-Fluoro-D-Cytidine, 2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine, 1-(2,3-Di-O-acetyl-5-deoxy-beta-D-ribofuranosyl)-4-amino-5-fluoropyrimidin-2(1H)-one, C13H16FN3O6, CHEBI:83538, MFCD07369302, 2,3-Di-O-Acetyl-5-Deoxy-5-Fuluro-D-Cytidine, 5'-Deoxy-5-fluorocytidine 2',3'-Diacetate, 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine, 5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine, Capecitabine Imp. C (EP), Capecitabine Impurity C, 2`,3`-di-O-acetyl-5`-deoxy-5-fluorocytidin, SCHEMBL935809, DTXCID0089698, AKOS015966242, GS-3732, NS00000422, W-60381, Q63398171, 2'',3''-Di-O-acetyl-5''-deoxy-5-fuluro-D-cytidine, (2r,3r,4r,5r)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-5-methyl-tetrahydrofuran-3,4-diyl diacetate, (2R,3R,4R,5R)-4-(acetyloxy)-5-(4-amino-5-fluoro-2-oxo-1,2-dihydropyrimidin-1-yl)-2-methyloxolan-3-yl acetate, 605-260-4 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 605.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C13H16FN3O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NWJBWNIUGNXJGO-RPULLILYSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -1.908 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.347 |
| Compound Name | 2',3'-di-O-acetyl-5'-deoxy-5-fluorocytidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 329.102 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.102 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 329.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.41870427826087 |
| Inchi | InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1 |
| Smiles | C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Maytenus Hookeri (Plant) Rel Props:Source_db:cmaup_ingredients