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Benzamide, N-[9-(2,3-di-O-benzoyl-.beta.-D-xylofuranosyl)-9H-purin-6-yl]-

View entire compound with spectra: 1 MS (GC)

Benzamide, N-[9-(2,3-di-O-benzoyl-.beta.-D-xylofuranosyl)-9H-purin-6-yl]-
SpectraBase Compound ID KeqWWw54Nlo
InChI InChI=1S/C31H25N5O7/c37-16-22-24(42-30(39)20-12-6-2-7-13-20)25(43-31(40)21-14-8-3-9-15-21)29(41-22)36-18-34-23-26(32-17-33-27(23)36)35-28(38)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,29,37H,16H2,(H,32,33,35,38)/t22-,24+,25-,29-/m1/s1
InChIKey PDOVRTQXHVPGAF-RUEQBBCHSA-N
Mol Weight 579.57 g/mol
Molecular Formula C31H25N5O7
Exact Mass 579.175398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iOMfth8u0d
Name Benzamide, N-[9-(2,3-di-O-benzoyl-.beta.-D-xylofuranosyl)-9H-purin-6-yl]-
Alternate Name(s) (2R,3R,4S,5R)-2-(6-benzamido-9H-purin-9-yl)-4-(benzoyloxy)-5-(hydroxymethyl)oxolan-3-yl benzoate 6,2',3'-N-O-tribenzoyl-9.beta.-D-xylofurannosyladenine Benzamide, N-(9-.beta.-D-xylofuranosyl-9H-purin-6-yl)-, dibenzoate (ester) benzoic acid[(2R,3S,4R,5R)-5-(6-benzamido-9-purinyl)-4-benzoyloxy-2-(hydroxymethyl)-3-oxolanyl]ester benzoic acid[(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-4-benzoyloxy-2-methylol-tetrahydrofuran-3-yl]ester [(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)-4-(phenylcarbonyloxy)oxolan-3-yl]benzoate [(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-4-benzoyloxy-2-(hydroxymethyl)oxolan-3-yl]benzoate [(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-4-benzoyloxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]benzoate benzoic acid [(2R,3S,4R,5R)-5-(6-benzamido-9-purinyl)-4-benzoyloxy-2-(hydroxymethyl)-3-oxolanyl] ester [(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-4-benzoyloxy-2-(hydroxymethyl)oxolan-3-yl] benzoate [(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-4-benzoyloxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate [(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate
CAS Registry Number 31079-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H25N5O7
InChI InChI=1S/C31H25N5O7/c37-16-22-24(42-30(39)20-12-6-2-7-13-20)25(43-31(40)21-14-8-3-9-15-21)29(41-22)36-18-34-23-26(32-17-33-27(23)36)35-28(38)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,29,37H,16H2,(H,32,33,35,38)/t22-,24+,25-,29-/m1/s1
InChIKey PDOVRTQXHVPGAF-RUEQBBCHSA-N
Molecular Weight 579.569 g/mol
SMILES OC[C@@]1([C@@]([C@]([C@]([n]2c3c(c(ncn3)NC(=O)c3ccccc3)nc2)(O1)[H])(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0pbc-0922100000-bdb42e6bfd924cdfc9b7
Source of Spectrum Y-19-601-0
Wiley ID 1408429