4-Amino-1-[(1S,2R,4S,5R)-4-(Hydroxymethyl)-3-Oxabicyclo[3.1.0]Hex-2-Yl]-2(1H)-Pyrimidinone

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Formula C10H13N3O3
IUPAC Name 4-amino-1-[(1r,2s,4r,5s)-2-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-4-yl]pyrimidin-2-one
Molecular Mass 223.229 g·mol−1
Heat of Formation -309.5 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 252.35 Å 3
Surface Area 235.01 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(1r,2s,4r,5s)-2-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-4-yl]-2-pyrimidinone
  • 4-amino-1-[(1r,2s,4r,5s)-2-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-4-yl]pyrimidin-2-one
  • 4-amino-1-[(1r,2s,4r,5s)-2-methylol-3-oxabicyclo[3.1.0]hexan-4-yl]pyrimidin-2-one
InChIKey RRGOIFKSCWKADS-JVZYCSMKSA-N
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