[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate

SpectraBase Compound ID	9nsATCGjuwF
InChI	InChI=1S/C24H21N5O6/c25-20-17-21(27-12-26-20)29(13-28-17)22-18(30)19(35-24(32)15-9-5-2-6-10-15)16(34-22)11-33-23(31)14-7-3-1-4-8-14/h1-10,12-13,16,18-19,22,30H,11H2,(H2,25,26,27)/t16-,18-,19+,22-/m1/s1
InChIKey	VLGGKCRTGSWDEX-NSAZKJPHSA-N Google Search
Mol Weight	475.46 g/mol
Molecular Formula	C24H21N5O6
Exact Mass	475.149183 g/mol

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SpectraBase Spectrum ID	1mSvO3mIPem
Name	[(2R,3R,4R,5R)-5-(6-Aminopurin-9-yl)-3-benzoyloxy-4-hydroxy-tetrahydrofuran-2-yl]methyl benzoate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	475.149183410 u
Formula	C24H21N5O6
InChI	InChI=1S/C24H21N5O6/c25-20-17-21(27-12-26-20)29(13-28-17)22-18(30)19(35-24(32)15-9-5-2-6-10-15)16(34-22)11-33-23(31)14-7-3-1-4-8-14/h1-10,12-13,16,18-19,22,30H,11H2,(H2,25,26,27)/t16-,18-,19+,22-/m1/s1
InChIKey	VLGGKCRTGSWDEX-NSAZKJPHSA-N
Molecular Weight	475.461 g/mol
SMILES	[C@@]1(N2C=3C(=C(N)N=CN3)N=C2)([C@@]([C@@](OC(=O)C2=CC=CC=C2)([C@](O1)(COC(=O)C=1C=CC=CC1)[H])[H])(O)[H])[H]