Triethylammonium-6-N-acetyl-2',3'-di-o-benzoyl-8-oxoadenosine-5'-[N-[N-(4,4',4''-trisbenzoyloxytrityl)-L-prolyl]-phosphoramidate]

SpectraBase Compound ID	6BKbQnBlJTp
InChI	InChI=1S/C53H46N7O17P.C6H15N/c1-32(61)56-43-40-44(55-31-54-43)60(52(68)57-40)46-42(74-48(64)34-20-9-3-10-21-34)41(73-47(63)33-18-7-2-8-19-33)39(72-46)30-71-78(69,70)58-45(62)38-28-17-29-59(38)53(75-49(65)35-22-11-4-12-23-35,76-50(66)36-24-13-5-14-25-36)77-51(67)37-26-15-6-16-27-37;1-4-7(5-2)6-3/h2-16,18-27,31,38-39,41-42,46H,17,28-30H2,1H3,(H,57,68)(H,54,55,56,61)(H2,58,62,69,70);4-6H2,1-3H3/t38-,39+,41+,42+,46+;/m1./s1
InChIKey	GGAFNDRNTHTCJT-XEKIQHPBSA-N Google Search
Mol Weight	1185.1 g/mol
Molecular Formula	C59H61N8O17P
Exact Mass	1184.38923 g/mol

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SpectraBase Spectrum ID	GjknGWHuBBs
Name	Triethylammonium-6-N-acetyl-2',3'-di-o-benzoyl-8-oxoadenosine-5'-[N-[N-(4,4',4''-trisbenzoyloxytrityl)-L-prolyl]-phosphoramidate]
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	1184.389229517 u
Formula	C59H61N8O17P
InChI	InChI=1S/C53H46N7O17P.C6H15N/c1-32(61)56-43-40-44(55-31-54-43)60(52(68)57-40)46-42(74-48(64)34-20-9-3-10-21-34)41(73-47(63)33-18-7-2-8-19-33)39(72-46)30-71-78(69,70)58-45(62)38-28-17-29-59(38)53(75-49(65)35-22-11-4-12-23-35,76-50(66)36-24-13-5-14-25-36)77-51(67)37-26-15-6-16-27-37;1-4-7(5-2)6-3/h2-16,18-27,31,38-39,41-42,46H,17,28-30H2,1H3,(H,57,68)(H,54,55,56,61)(H2,58,62,69,70);4-6H2,1-3H3/t38-,39+,41+,42+,46+;/m1./s1
InChIKey	GGAFNDRNTHTCJT-XEKIQHPBSA-N
Molecular Weight	1185.150 g/mol
Nominal Mass	1184 u
SMILES	C(N(CC)CC)C.C(OC(=O)C1=CC=CC=C1)(OC(=O)C1=CC=CC=C1)(OC(=O)C1=CC=CC=C1)N1[C@@](C(NP(OC[C@]2([C@@]([C@@]([C@@](N3C=4N=CN=C(C4NC3=O)NC(=O)C)(O2)[H])(OC(=O)C2=CC=CC=C2)[H])(OC(=O)C2=CC=CC=C2)[H])[H])(=O)O)=O)(CCC1)[H]