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2-(2',3',5'-Tri-O-acetyl-.beta.-D-Arabinofuranosylthio)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidine-4-thione
SpectraBase Compound ID F0HaizrNcVS
InChI InChI=1S/C21H24N2O7S3/c1-9(24)27-8-13-16(28-10(2)25)17(29-11(3)26)20(30-13)33-21-22-18(31)15-12-6-4-5-7-14(12)32-19(15)23-21/h13,16-17,20H,4-8H2,1-3H3,(H,22,23,31)/t13-,16-,17+,20+/m1/s1
InChIKey XEKYRBPXHAMKGP-JPUXWFAOSA-N
Mol Weight 512.61 g/mol
Molecular Formula C21H24N2O7S3
Exact Mass 512.074565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABpIO5lUZcp
Name 2-(2',3',5'-Tri-O-acetyl-.beta.-D-Arabinofuranosylthio)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidine-4-thione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O7S3
InChI InChI=1S/C21H24N2O7S3/c1-9(24)27-8-13-16(28-10(2)25)17(29-11(3)26)20(30-13)33-21-22-18(31)15-12-6-4-5-7-14(12)32-19(15)23-21/h13,16-17,20H,4-8H2,1-3H3,(H,22,23,31)/t13-,16-,17+,20+/m1/s1
InChIKey XEKYRBPXHAMKGP-JPUXWFAOSA-N
Molecular Weight 512.610 g/mol
SMILES N1C(c2c(N=C1S[C@]1([C@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H])sc1CCCCc21)=S
SPLASH splash10-03di-0000090000-14571563dc533d43b4b8
Source of Spectrum F2-45-4032-13a
Synonyms acetic acid [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[(4-sulfanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-2-oxolanyl]methyl ester [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[(4-sulfanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]oxolan-2-yl]methyl acetate [(2R,3R,4S,5S)-3,4-diacetoxy-5-[(4-thioxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]tetrahydrofuran-2-yl]methyl acetate [(2R,3R,4S,5S)-3,4-diacetyloxy-5-[(4-sulfanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]oxolan-2-yl]methyl ethanoate
Wiley ID 1703866