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3'-Amino-3'-deoxy-adenosine-3',5'-cyclothionophosphate anion

View entire compound with spectra: 4 NMR

3'-Amino-3'-deoxy-adenosine-3',5'-cyclothionophosphate anion
SpectraBase Compound ID 6u2oGM7kxsL
InChI InChI=1S/C10H13N6O4PS/c11-8-6-9(13-2-12-8)16(3-14-6)10-7(17)5-4(20-10)1-19-21(18,22)15-5/h2-5,7,10,17H,1H2,(H2,11,12,13)(H2,15,18,22)/p-1
InChIKey NXHYZAYCOJGMPO-UHFFFAOYSA-M
Mol Weight 343.28 g/mol
Molecular Formula C10H12N6O4PS
Exact Mass 343.037836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEx9Eg6obkg
Name 3'-Amino-3'-deoxy-adenosine-3',5'-cyclothionophosphate anion
Comments DIASTEREOMER B,INVERSE CONFIGURATION AT PHOSPHORUS ATOM
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Formula C10H12N6O4PS
InChI InChI=1S/C10H13N6O4PS/c11-8-6-9(13-2-12-8)16(3-14-6)10-7(17)5-4(20-10)1-19-21(18,22)15-5/h2-5,7,10,17H,1H2,(H2,11,12,13)(H2,15,18,22)/p-1
InChIKey NXHYZAYCOJGMPO-UHFFFAOYSA-M
Instrument Name Varian CFT-20
Literature Reference M. Morr, L. Ernst, Chem. Ber. 111, 2152 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O