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#30;N-1-[(1R,2S,3R,4R)-2,3-(ISOPROPYLIDENEDIOXY)-4-[(5-MONOMETHOXYTRITYL)-OXYMETHYL]-CYCLOPENTYL]-5'-O-[BIS-(PHENYLTHIO)-PHOSPHORYL]-2',3'-O-ISOPROPYLIDENE-ADE

Compound with spectra: 1 NMR

#30;N-1-[(1R,2S,3R,4R)-2,3-(ISOPROPYLIDENEDIOXY)-4-[(5-MONOMETHOXYTRITYL)-OXYMETHYL]-CYCLOPENTYL]-5'-O-[BIS-(PHENYLTHIO)-PHOSPHORYL]-2',3'-O-ISOPROPYLIDENE-ADE
SpectraBase Compound ID 1f3dK2QfD0J
InChI InChI=1S/C54H56N5O9PS2/c1-52(2)65-45-35(31-62-54(36-18-10-6-11-19-36,37-20-12-7-13-21-37)38-26-28-39(61-5)29-27-38)30-42(46(45)66-52)58-34-57-50-44(49(58)55)56-33-59(50)51-48-47(67-53(3,4)68-48)43(64-51)32-63-69(60,70-40-22-14-8-15-23-40)71-41-24-16-9-17-25-41/h6-29,33-35,42-43,45-48,51,55H,30-32H2,1-5H3/t35-,42-,43-,45-,46+,47-,48-,51-/m1/s1
InChIKey HNVMNBXHBWSLDQ-BLJZQFIGSA-N
Mol Weight 1014.2 g/mol
Molecular Formula C54H56N5O9PS2
Exact Mass 1013.325708 g/mol
Enantiomer InChIKey HNVMNBXHBWSLDQ-INKLABIESA-N

View Spectrum of #30;N-1-[(1R,2S,3R,4R)-2,3-(ISOPROPYLIDENEDIOXY)-4-[(5-MONOMETHOXYTRITYL)-OXYMETHYL]-CYCLOPENTYL]-5'-O-[BIS-(PHENYLTHIO)-PHOSPHORYL]-2',3'-O-ISOPROPYLIDENE-ADE

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Total Synthesis of Cyclic ADP-carbocyclic-ribose, a Stable Mimic of Ca2+-Mobilizing Second Messenger Cyclic ADP-Ribose1 Journal of the American Chemical Society 2001
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