N(6)-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-(N,N-DIISOPROPYLAMINO)-[3-(N-TERT.-BUTYLCARBOXAMIDO)-1-PROPYLOXY]-PHOSPHINYL-2'-DEOXYADENOSINE

SpectraBase Compound ID	UL96SW9m7w
InChI	InChI=1S/C52H64N7O8P/c1-35(2)59(36(3)4)68(65-30-16-21-45(60)57-51(5,6)7)67-43-31-46(58-34-55-47-48(53-33-54-49(47)58)56-50(61)37-17-12-10-13-18-37)66-44(43)32-64-52(38-19-14-11-15-20-38,39-22-26-41(62-8)27-23-39)40-24-28-42(63-9)29-25-40/h10-15,17-20,22-29,33-36,43-44,46H,16,21,30-32H2,1-9H3,(H,57,60)(H,53,54,56,61)/t43-,44+,46+,68?/m1/s1
InChIKey	HNGIKYZWVJZKSI-NVRAVXHQSA-N Google Search
Mol Weight	946.1 g/mol
Molecular Formula	C52H64N7O8P
Exact Mass	945.455399 g/mol

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SpectraBase Spectrum ID	AUemELFxDOl
Name	N(6)-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-(N,N-DIISOPROPYLAMINO)-[3-(N-TERT.-BUTYLCARBOXAMIDO)-1-PROPYLOXY]-PHOSPHINYL-2'-DEOXYADENOSINE
Compound Number	1C
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C52H64N7O8P
InChI	InChI=1S/C52H64N7O8P/c1-35(2)59(36(3)4)68(65-30-16-21-45(60)57-51(5,6)7)67-43-31-46(58-34-55-47-48(53-33-54-49(47)58)56-50(61)37-17-12-10-13-18-37)66-44(43)32-64-52(38-19-14-11-15-20-38,39-22-26-41(62-8)27-23-39)40-24-28-42(63-9)29-25-40/h10-15,17-20,22-29,33-36,43-44,46H,16,21,30-32H2,1-9H3,(H,57,60)(H,53,54,56,61)/t43-,44+,46+,68?/m1/s1
InChIKey	HNGIKYZWVJZKSI-NVRAVXHQSA-N
Literature Reference Author	A.WILK,M.K.CHMIELEWSKI,A.GRAJKOWSKI,L.R.PHILLIPS,S.L.BEAUCAG E
Literature Reference Citation	J.ORG.CHEM.,67,6430(2002)
Literature Reference DOI	10.1021/jo0258608
Solvent	C6D6
Source File Reference	UWSI22019