[(2S,3R,4R)-4-(6-Amino-9H-Purin-9-Yl)-2,3-Oxetanediyl]Dimethanol

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Properties Simple | Detailed

Formula C10H13N5O3
IUPAC Name [(2r,3r,4s)-2-(6-aminopurin-9-ium-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
Molecular Mass 251.242 g·mol−1
Heat of Formation -224.1 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 280.66 Å 3
Surface Area 253.62 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-oxetanocin
  • 2,3-oxetanedimethanol, 4-(6-amino-9h-purin-9-yl)-, (2s-(2-alpha,3-beta,4-alpha))-
  • 2,3-oxetanedimethanol, 4-(6-amino-9h-purin-9-yl)-,{2s-(2.alpha.,3.beta.,4.alpha.)]-
  • 9-((2r,3r,4s)-3,4-bis(hydroxymethyl)-2-oxetanyl)adenine
  • 9-[(2r,3r,4s)-3,4-bis(hydroxymethyl)-2-oxetanyl]adenine
  • [(2r,3r,4s)-2-(6-amino-9-purinyl)-4-(hydroxymethyl)-3-oxetanyl]methanol
  • [(2r,3r,4s)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
  • [(2r,3r,4s)-2-(6-aminopurin-9-yl)-4-methylol-oxetan-3-yl]methanol
  • nk 84-0218
  • oxetanocin
  • oxetanocin a
CAS Number(s)
  • 103913-16-2
InChIKey LMJVXGOFWKVXAW-OXOINMOOSA-N
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