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8-Bromo-adenosine 3',5'-cyclic phosphate

View entire compound with spectra: 1 NMR

8-Bromo-adenosine 3',5'-cyclic phosphate
SpectraBase Compound ID FpQuYBNxNCL
InChI InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/p-1
InChIKey DVKQVRZMKBDMDH-UHFFFAOYSA-M
Mol Weight 407.1 g/mol
Molecular Formula C10H10BrN5O6P
Exact Mass 405.955208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5pFcIklXoY9
Name 8-Bromo-adenosine 3',5'-cyclic phosphate
Comments HITACHI R-22-CFT PH = 7-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H10BrN5O6P
InChI InChI=1S/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)/p-1
InChIKey DVKQVRZMKBDMDH-UHFFFAOYSA-M
Instrument Name see comment
Literature Reference S. Uesugi, S. Tanaka, M. Ikehara, Org. Magn. Resonance 12, 143 (1979).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O