| SpectraBase Compound ID | 16ypiSAXwzC |
|---|---|
| InChI | InChI=1S/C16H16ClFN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15-/m1/s1 |
| InChIKey | GMYMSVPVZIKTGW-SDBHATRESA-N |
| Mol Weight | 430.78 g/mol |
| Molecular Formula | C16H16ClFN4O7 |
| Exact Mass | 430.069155 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KYfjDfFfFYj |
|---|---|
| Name | 9H-Purine, 6-chloro-2-fluoro-9-(2,3,5-tri-O-acetyl-.beta.-D-ribofuranosyl)- |
| CAS Registry Number | 13276-51-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H16ClFN4O7 |
| InChI | InChI=1S/C16H16ClFN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15-/m1/s1 |
| InChIKey | GMYMSVPVZIKTGW-SDBHATRESA-N |
| Molecular Weight | 430.776 g/mol |
| SMILES | c12[n](cnc2c(Cl)nc(n1)F)[C@]1([C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H] |
| SPLASH | splash10-0a4i-0190000000-a9e9fe877cbeaafa1a7c |
| Source of Spectrum | I-59-2610-0 |
| Synonyms | 9-(2,3,5-tri-O-acetyl-.beta.-D-ribofuranosyl)-6-chloro-2-fluoro-purine 9H-purine, 6-chloro-2-fluoro-9-.beta.-D-ribofuranosyl-, triacetate 9H-purine, 6-chloro-2-fluoro-9-.beta.-D-ribofuranosyl-, triacetate (ester) [(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(6-chloro-2-fluoro-9H-purin-9-yl)oxolan-2-yl]methyl acetate Acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-fluoro-9-purinyl)-2-oxolanyl]methyl ester [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-fluoropurin-9-yl)oxolan-2-yl]methyl acetate [(2R,3R,4R,5R)-3,4-diacetoxy-5-(6-chloro-2-fluoro-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloranyl-2-fluoranyl-purin-9-yl)oxolan-2-yl]methyl ethanoate |
| Wiley ID | 1381355 |