9-[5-O-(2-Oxido-1,3,2-Dioxaphosphinan-2-Yl)-β-D-Arabinofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C13H18N5O7P
IUPAC Name (2r,3s,4s,5r)-2-(6-aminopurin-9-ium-9-yl)-5-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxymethyl]tetrahydrofuran-3,4-diol
Molecular Mass 387.285 g·mol−1
Heat of Formation -1232.8 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 403.97 Å 3
Surface Area 347.5 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r)-2-(6-amino-9-purinyl)-5-[(2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)oxymethyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4s,5r)-2-(6-aminopurin-9-yl)-5-[(2-keto-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)oxymethyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4s,5r)-2-(6-aminopurin-9-yl)-5-[(2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)oxymethyl]oxolane-3,4-diol
  • (2r,3s,4s,5r)-2-(6-aminopurin-9-yl)-5-[(2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)oxymethyl]tetrahydrofuran-3,4-diol
InChIKey WNWJIOUDQCLXLQ-SQFXPHBZSA-N
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