SpectraBase Compound ID | 8rHNnkAUhAS |
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InChI | InChI=1S/C20H26F3N5O7S/c1-19(2)34-13-11(8-32-36(3,30)31)33-17(14(13)35-19)28-7-10(12-15(24)26-9-27-16(12)28)5-4-6-25-18(29)20(21,22)23/h7,9,11,13-14,17H,4-6,8H2,1-3H3,(H,25,29)(H2,24,26,27)/t11-,13-,14-,17-/m1/s1 |
InChIKey | XYUSLRCPYKORQO-LSCFUAHRSA-N |
Mol Weight | 537.51 g/mol |
Molecular Formula | C20H26F3N5O7S |
Exact Mass | 537.150504 g/mol |
SpectraBase Spectrum ID | LgRbFYtM5SI |
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Name | 4-Amino-7-(2',3'-o-isopropylidene-5'-o-mesyl-beta-D-ribofuranosyl)-5-[1''-(3''-trifluoroacetamido)-propyl]-7H-pyrrolo-[2,3-D]-pyrimidine |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 537.150503853 u |
Formula | C20H26F3N5O7S |
InChI | InChI=1S/C20H26F3N5O7S/c1-19(2)34-13-11(8-32-36(3,30)31)33-17(14(13)35-19)28-7-10(12-15(24)26-9-27-16(12)28)5-4-6-25-18(29)20(21,22)23/h7,9,11,13-14,17H,4-6,8H2,1-3H3,(H,25,29)(H2,24,26,27)/t11-,13-,14-,17-/m1/s1 |
InChIKey | XYUSLRCPYKORQO-LSCFUAHRSA-N |
Molecular Weight | 537.511 g/mol |
SMILES | C1=NC=2N(C=C(C2C(=N1)N)CCCNC(=O)C(F)(F)F)[C@]1([C@]2([C@@]([C@](O1)(COS(=O)(=O)C)[H])(OC(O2)(C)C)[H])[H])[H] |