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107838-94-8 7-(6-o-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline

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Product Name 7-(6-O-(5-carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline
CAS No. 107838-94-8
Synonyms 7-(6-O-(5-Carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline; 6-((5,6-Dihydro-5-oxo-6-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-9-yl)-2H-pyran-2-yl)methoxy)hexanoic acid (2S-cis)-; Cpd-TH; Hexanoic acid, 6-((5,6-dihydro-5-oxo-6-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-9-yl)-2H-pyran-2-yl)methoxy)-, (2S-cis)-; 6-{[(2S,6S)-6-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)-5-oxo-5,6-dihydro-2H-pyran-2-yl]methoxy}hexanoic acid
InChI InChI=1/C19H24N4O7/c1-21-16-15(17(27)22(2)19(21)28)20-11-23(16)18-13(24)8-7-12(30-18)10-29-9-5-3-4-6-14(25)26/h7-8,11-12,18H,3-6,9-10H2,1-2H3,(H,25,26)/t12-,18-/m0/s1
Molecular Formula C19H24N4O7
Molecular Weight 420.4165
Density 1.46g/cm3
Boiling point 731.3°C at 760 mmHg
Flash point 396.1°C
Refractive index 1.643