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4-Amino-7-(2',3'-o-isopropylidene-5'-o-mesyl-beta-D-ribofuranosyl)-5-[1''-(3''-trifluoroacetamido)-propyl]-7H-pyrrolo-[2,3-D]-pyrimidine
SpectraBase Compound ID 8rHNnkAUhAS
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgRbFYtM5SI
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]