6-N-(4,4'-Dimethoxytrityl)-2',3'-o-isopropylideneadenosine-5'-[methyl-N-(N-trityl-L-prolyl)-phosphoramidate]

SpectraBase Compound ID	1zr1AJMvtuG
InChI	InChI=1S/C59H60N7O9P/c1-57(2)74-51-49(37-72-76(68,71-5)64-55(67)48-27-18-36-66(48)59(43-21-12-7-13-22-43,44-23-14-8-15-24-44)45-25-16-9-17-26-45)73-56(52(51)75-57)65-39-62-50-53(60-38-61-54(50)65)63-58(40-19-10-6-11-20-40,41-28-32-46(69-3)33-29-41)42-30-34-47(70-4)35-31-42/h6-17,19-26,28-35,38-39,48-49,51-52,56H,18,27,36-37H2,1-5H3,(H,60,61,63)(H,64,67,68)/t48-,49+,51+,52+,56+,76?/m1/s1
InChIKey	NVDAWRRCTALBFG-JNWBVNEHSA-N Google Search
Mol Weight	1042.1 g/mol
Molecular Formula	C59H60N7O9P
Exact Mass	1041.419014 g/mol

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SpectraBase Spectrum ID	EmU1zz5ZYJB
Name	6-N-(4,4'-Dimethoxytrityl)-2',3'-o-isopropylideneadenosine-5'-[methyl-N-(N-trityl-L-prolyl)-phosphoramidate]
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	1041.419013529 u
Formula	C59H60N7O9P
InChI	InChI=1S/C59H60N7O9P/c1-57(2)74-51-49(37-72-76(68,71-5)64-55(67)48-27-18-36-66(48)59(43-21-12-7-13-22-43,44-23-14-8-15-24-44)45-25-16-9-17-26-45)73-56(52(51)75-57)65-39-62-50-53(60-38-61-54(50)65)63-58(40-19-10-6-11-20-40,41-28-32-46(69-3)33-29-41)42-30-34-47(70-4)35-31-42/h6-17,19-26,28-35,38-39,48-49,51-52,56H,18,27,36-37H2,1-5H3,(H,60,61,63)(H,64,67,68)/t48-,49+,51+,52+,56+,76?/m1/s1
InChIKey	NVDAWRRCTALBFG-JNWBVNEHSA-N
Molecular Weight	1042.143 g/mol
SMILES	C1=NC2=C(C(=N1)NC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)N=CN2[C@@]1([C@@]2([C@]([C@@](O1)(COP(=O)(OC)NC(=O)[C@]1(CCCN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[H])[H])(OC(O2)(C)C)[H])[H])[H]