2’,3’-Di-O-acetyl-5’-deoxy-5-fluoro-N4-(pentoxycarbonxyl)cytidine - CAS 162204-20-8
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Catalog Number: R003932
CAS Number: 162204-20-8
PubChem Substance ID:355102109
Molecular Formula: C19H26FN3O8
Molecular Weight:443.428
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | 5’-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine 2’,3’-Diacetate; [1-(2,3-Di-O-acetyl-5-deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl]carbamic Acid Pentyl Ester; 2’,3’-Di-O-acetylcapecitabine |
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Property
Molecular Formula: | C19H26FN3O8 |
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Molecular Weight | 443.428 |
Purity | ≥95% |
Storage | Store at RT |
Computed Descriptor
IUPAC Name | [(2R,3R,4R,5R)-4-acetyloxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyloxolan-3-yl] acetate |
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InChI | InChI=1S/C19H26FN3O8/c1-5-6-7-8-28-19(27)22-16-13(20)9-23(18(26)21-16)17-15(31-12(4)25)14(10(2)29-17)30-11(3)24/h9-10,14-15,17H,5-8H2,1-4H3,(H,21,22,26,27)/t10-,14-,15-,17-/m1/s1 |
InChIKey | WMJHGZFQHPCWQZ-GWBBYGMBSA-N |
SMILES | CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)OC(=O)C)OC(=O)C |