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3'-Deoxy-3'-methyleneinosine
SpectraBase Compound ID 1r5OfaVOl4g
InChI InChI=1S/C11H12N4O4/c1-5-6(2-16)19-11(8(5)17)15-4-14-7-9(15)12-3-13-10(7)18/h3-4,6,8,11,16-17H,1-2H2,(H,12,13,18)/t6-,8-,11-/m1/s1
InChIKey KFCJEOAAPFXAIW-AZTOOPQRSA-N
Mol Weight 264.24 g/mol
Molecular Formula C11H12N4O4
Exact Mass 264.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EcmdeiM4IQ
Name 3'-Deoxy-3'-methyleneinosine
CAS Registry Number 137058-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N4O4
InChI InChI=1S/C11H12N4O4/c1-5-6(2-16)19-11(8(5)17)15-4-14-7-9(15)12-3-13-10(7)18/h3-4,6,8,11,16-17H,1-2H2,(H,12,13,18)/t6-,8-,11-/m1/s1
InChIKey KFCJEOAAPFXAIW-AZTOOPQRSA-N
Molecular Weight 264.241 g/mol
SMILES N1C=NC(c2c1[n]([C@@]1(O[C@@](C([C@]1(O)[H])=C)(CO)[H])[H])cn2)=O
SPLASH splash10-000i-0910000000-400b3724b9b0214fc482
Source of Spectrum J-56-7112-8
Synonyms 9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]-6,9-dihydro-3H-purin-6-one 9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methylene-2-oxolanyl]-3H-purin-6-one 9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]-3H-purin-6-one 9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methylene-tetrahydrofuran-2-yl]-3H-purin-6-one 9-[(2R,3R,5S)-5-(hydroxymethyl)-4-methylidene-3-oxidanyl-oxolan-2-yl]-3H-purin-6-one
Wiley ID 1267482