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#40;[(2S)-3-(6-AMINO-9H-PURIN-9-YL)-2-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-PROPYL]-3,4-BIS-O-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3

Compound with spectra: 2 NMR

#40;[(2S)-3-(6-AMINO-9H-PURIN-9-YL)-2-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-PROPYL]-3,4-BIS-O-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3
SpectraBase Compound ID 3Z1g8mXy7Kl
InChI InChI=1S/C44H46N5O15P3/c45-42-39-43(47-28-46-42)49(29-48-39)18-37(62-65(50)56-20-31-12-4-5-13-32(31)21-57-65)26-54-44-41(53-19-30-10-2-1-3-11-30)40(64-67(52)60-24-35-16-8-9-17-36(35)25-61-67)38(27-55-44)63-66(51)58-22-33-14-6-7-15-34(33)23-59-66/h1-17,28-29,37-38,40-41,44H,18-27H2,(H2,45,46,47)/t37-,38-,40-,41+,44-/m1/s1
InChIKey WIBFJEXVMYXXIV-WBYNBMEXSA-N
Mol Weight 977.8 g/mol
Molecular Formula C44H46N5O15P3
Exact Mass 977.220327 g/mol
Enantiomer InChIKey WIBFJEXVMYXXIV-NCMIDVKWSA-N

View Spectrum of #40;[(2S)-3-(6-AMINO-9H-PURIN-9-YL)-2-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-PROPYL]-3,4-BIS-O-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of #40;[(2S)-3-(6-AMINO-9H-PURIN-9-YL)-2-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-PROPYL]-3,4-BIS-O-(3,4-DIHYDRO-3-OXIDO-2,4,3-BENZODIOXAPHOSPHEPIN-3

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
9-.alpha.-[2,3,5-O-Tribenzyl-d-arabinosyl]adenine
(S-P)-[16-O,17-O,18-O]-CAMP-METHYLESTER
ADENOSINE 3',5'-CYCLOPHOSPHATE, TRIETHYLAMMONIUM SALT
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE ANION
Adenosine 3',5'-cyclic phosphate anion
ADENOSINE-5'-BIS(2,4,6-TRIMETHYLBENZOYL)PHOSPHATE
5'-deoxy-5'-methylthioadenosine, 2TMS
3'-O-LEVULINYL-2'-O-(2-METHOXYETHYL)-ADENOSINE
BENZYL-2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-ALLOPYRANOSIDE-CYCLIC-(S,S)-DIPHENYLETHYLENE-PHOSPHITE
BENZYL-2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-ALPHA-D-ALLOPYRANOSIDE-CYCLIC-(R,R)-DIPHENYLETHYLENE-PHOSPHITE
Title Journal or Book Year
d-myo-Inositol-1,4,5-trisphosphate and Adenophostin Mimics: Importance of the Spatial Orientation of a Phosphate Group on the Biological Activity Bioorganic & Medicinal Chemistry 2002
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