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TRIETHYLAMMONIUM-2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[(1,2,4-TRIAZOLYL)-PHOSPHORAMIDATE]

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TRIETHYLAMMONIUM-2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[(1,2,4-TRIAZOLYL)-PHOSPHORAMIDATE]
SpectraBase Compound ID ICIctfiHyyo
InChI InChI=1S/C33H27N8O9P.C6H15N/c42-31(21-10-4-1-5-11-21)47-16-24-26(49-32(43)22-12-6-2-7-13-22)27(50-33(44)23-14-8-3-9-15-23)30(48-24)40-20-37-25-28(35-18-36-29(25)40)39-51(45,46)41-19-34-17-38-41;1-4-7(5-2)6-3/h1-15,17-20,24,26-27,30H,16H2,(H2,35,36,39,45,46);4-6H2,1-3H3/t24-,26-,27-,30-;/m0./s1
InChIKey XAZGFLDMEYAITE-YZVSAVQUSA-N
Mol Weight 811.8 g/mol
Molecular Formula C39H42N9O9P
Exact Mass 811.284311 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkspcuMQegb
Name TRIETHYLAMMONIUM-2',3',5'-TRI-O-BENZOYLADENOSINE-6-N-[(1,2,4-TRIAZOLYL)-PHOSPHORAMIDATE]
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H42N9O9P
InChI InChI=1S/C33H27N8O9P.C6H15N/c42-31(21-10-4-1-5-11-21)47-16-24-26(49-32(43)22-12-6-2-7-13-22)27(50-33(44)23-14-8-3-9-15-23)30(48-24)40-20-37-25-28(35-18-36-29(25)40)39-51(45,46)41-19-34-17-38-41;1-4-7(5-2)6-3/h1-15,17-20,24,26-27,30H,16H2,(H2,35,36,39,45,46);4-6H2,1-3H3/t24-,26-,27-,30-;/m0./s1
InChIKey XAZGFLDMEYAITE-YZVSAVQUSA-N
Literature Reference Author T.WADA,T.MORIGUCHI,M.SEKINE
Literature Reference Citation J.AM.CHEM.SOC.,116,9901(1994)
Literature Reference DOI 10.1021/ja00101a011
Solvent CDCl3
Source File Reference UWSI780