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(5'S,S(S))-2',3'-Di-O-Acetyl-5'-chloro-5'-deoxy-5'-[(4-methoxyphenyl)sulfinyl]adensine

View entire compound with spectra: 1 MS (GC)

(5'S,S(S))-2',3'-Di-O-Acetyl-5'-chloro-5'-deoxy-5'-[(4-methoxyphenyl)sulfinyl]adensine
SpectraBase Compound ID 5pB9G3mgtqL
InChI InChI=1S/C21H22ClN5O7S/c1-10(28)32-15-16(18(22)35(30)13-6-4-12(31-3)5-7-13)34-21(17(15)33-11(2)29)27-9-26-14-19(23)24-8-25-20(14)27/h4-9,15-18,21H,1-3H3,(H2,23,24,25)/t15-,16+,17-,18-,21-,35?/m1/s1
InChIKey PESUGIKNLBMMJQ-GXNKNZSFSA-N
Mol Weight 523.95 g/mol
Molecular Formula C21H22ClN5O7S
Exact Mass 523.092847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ftv6DQR8CEd
Name (5'S,S(S))-2',3'-Di-O-Acetyl-5'-chloro-5'-deoxy-5'-[(4-methoxyphenyl)sulfinyl]adensine
Alternate Name(s) (2R,3R,4S,5S)-4-(acetyloxy)-2-(6-amino-9H-purin-9-yl)-5-[(S)-chloro[(4-methoxybenzene)sulfinyl]methyl]oxolan-3-yl acetate Acetic acid[(2S,3S,4R,5R)-4-acetoxy-5-adenin-9-yl-2-[(S)-chloro-[(S)-(4-methoxyphenyl)sulfinyl]methyl]tetrahydrofuran-3-yl]ester Acetic acid[(2S,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(S)-chloro-[(S)-(4-methoxyphenyl)sulfinyl]methyl]-3-oxolanyl]ester [(2S,3S,4R,5R)-4-acetoxy-5-(6-aminopurin-9-yl)-2-[(S)-chloro-[(S)-(4-methoxyphenyl)sulfinyl]methyl]tetrahydrofuran-3-yl]acetate [(2S,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(S)-chloranyl-[(S)-(4-methoxyphenyl)sulfinyl]methyl]oxolan-3-yl]ethanoate [(2S,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(S)-chloro-[(S)-(4-methoxyphenyl)sulfinyl]methyl]oxolan-3-yl]acetate Acetic acid [(2S,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(S)-chloro-[(S)-(4-methoxyphenyl)sulfinyl]methyl]-3-oxolanyl] ester [(2S,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(S)-chloro-[(S)-(4-methoxyphenyl)sulfinyl]methyl]oxolan-3-yl] acetate [(2S,3S,4R,5R)-4-acetoxy-5-(6-aminopurin-9-yl)-2-[(S)-chloro-[(S)-(4-methoxyphenyl)sulfinyl]methyl]tetrahydrofuran-3-yl] acetate [(2S,3S,4R,5R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-[(S)-chloranyl-[(S)-(4-methoxyphenyl)sulfinyl]methyl]oxolan-3-yl] ethanoate
CAS Registry Number 144494-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN5O7S
InChI InChI=1S/C21H22ClN5O7S/c1-10(28)32-15-16(18(22)35(30)13-6-4-12(31-3)5-7-13)34-21(17(15)33-11(2)29)27-9-26-14-19(23)24-8-25-20(14)27/h4-9,15-18,21H,1-3H3,(H2,23,24,25)/t15-,16+,17-,18-,21-,35?/m1/s1
InChIKey PESUGIKNLBMMJQ-GXNKNZSFSA-N
Molecular Weight 523.948 g/mol
SMILES Nc1c2c([n]([C@]3([C@@]([C@](OC(=O)C)([C@](O3)([C@@]([S@](c3ccc(cc3)OC)=O)(Cl)[H])[H])[H])(OC(=O)C)[H])[H])cn2)ncn1
SPLASH splash10-0a4r-0902000000-2fde02960e24e7236024
Source of Spectrum J-58-115-5
Wiley ID 1402361