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N(6)-Benzoyl-9-[2'-deoxy-5'-O-(methylsulfonyl)-3',5'-ethano-.beta.-D-ribofuranosyl]adenine
SpectraBase Compound ID 97Wrfavm4iN
InChI InChI=1S/C20H21N5O6S/c1-32(27,28)14-7-8-29-13-9-15(30-17(13)14)31-25-11-23-16-18(21-10-22-19(16)25)24-20(26)12-5-3-2-4-6-12/h2-6,10-11,13-15,17H,7-9H2,1H3,(H,21,22,24,26)/t13?,14?,15-,17-/m1/s1
InChIKey MESFNEWQKPYXCH-OCUYMYNFSA-N
Mol Weight 459.48 g/mol
Molecular Formula C20H21N5O6S
Exact Mass 459.121255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FpffPRFRNRP
Name N(6)-Benzoyl-9-[2'-deoxy-5'-O-(methylsulfonyl)-3',5'-ethano-.beta.-D-ribofuranosyl]adenine
Alternate Name(s) N-(9-{[(2R,7aR)-7-methanesulfonyl-hexahydro-2H-furo[3,2-b]pyran-2-yl]oxy}-9H-purin-6-yl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N5O6S
InChI InChI=1S/C20H21N5O6S/c1-32(27,28)14-7-8-29-13-9-15(30-17(13)14)31-25-11-23-16-18(21-10-22-19(16)25)24-20(26)12-5-3-2-4-6-12/h2-6,10-11,13-15,17H,7-9H2,1H3,(H,21,22,24,26)/t13?,14?,15-,17-/m1/s1
InChIKey MESFNEWQKPYXCH-OCUYMYNFSA-N
Molecular Weight 459.477 g/mol
SMILES N(c1c2c([n](O[C@]3(O[C@]4(C(S(=O)(=O)C)CCOC4C3)[H])[H])cn2)ncn1)C(=O)c1ccccc1
SPLASH splash10-03di-3950000000-45bdbe7063c078090319
Source of Spectrum H-79-1143-0
Wiley ID 1390169