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[(4R,5S)-5-(adenin-9-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

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[(4R,5S)-5-(adenin-9-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SpectraBase Compound ID 6RguK6LHN5u
InChI InChI=1S/C12H17N5O3/c1-12(2)19-7(8(4-18)20-12)3-17-6-16-9-10(13)14-5-15-11(9)17/h5-8,18H,3-4H2,1-2H3,(H2,13,14,15)/t7-,8+/m0/s1
InChIKey SPXMBAQNKYIIRA-JGVFFNPUSA-N
Mol Weight 279.3 g/mol
Molecular Formula C12H17N5O3
Exact Mass 279.133139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZD3enP48pZ
Name [(4R,5S)-5-(Adenin-9-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
Comments Computed using HOSE algorithm
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Exact Mass 279.133139424 u
Formula C12H17N5O3
InChI InChI=1S/C12H17N5O3/c1-12(2)19-7(8(4-18)20-12)3-17-6-16-9-10(13)14-5-15-11(9)17/h5-8,18H,3-4H2,1-2H3,(H2,13,14,15)/t7-,8+/m0/s1
InChIKey SPXMBAQNKYIIRA-JGVFFNPUSA-N
SMILES C1=2N(C=NC2C(N)=NC=N1)C[C@@]1(OC(C)(C)O[C@@]1(CO)[H])[H]