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N6,O-2'-Dibutyryladenosine 3':5'-cyclic monophosphate sodium salt hydrate
SpectraBase Compound ID LESKAdRHwav
InChI InChI=1S/C18H24N5O8P.Na.H2O/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);;1H2/q;+1;/p-1/t10-,14-,15-,18-;;/m1../s1
InChIKey MBIUSAASWSOYGU-VMZSDVDQSA-M
Mol Weight 509.38753128 g/mol
Molecular Formula C18H25N5NaO9P
Exact Mass 509.128759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KXMGhvCefPJ
Name N6,O-2'-Dibutyryladenosine 3':5'-cyclic monophosphate sodium salt hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 851965
CAS Registry Number 681435-26-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25N5NaO9P
InChI InChI=1S/C18H24N5O8P.Na.H2O/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);;1H2/q;+1;/p-1/t10-,14-,15-,18-;;/m1../s1
InChIKey MBIUSAASWSOYGU-VMZSDVDQSA-M
Observed nucleus 1H
Purity 98%
Solvent D2O
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Sodium Salt Bucladesine Bucladesine, Monosodium Salt
Wiley ID SIAL_1HNMR_010364