1-(2,3-Anhydro-.β.-D-Lyxofuranosyl)Cytosine

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Properties Simple | Detailed

Formula C9H11N3O4
IUPAC Name 4-amino-1-[(1s,2r,4r,5s)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]pyrimidin-2-one
Molecular Mass 225.201 g·mol−1
Heat of Formation -414.3 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 242.31 Å 3
Surface Area 228.22 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,3-anhydro-beta-d-lyxofuranosyl)cytosine
  • 1-(2,3-anhydrolyxofuranosyl)cytosine
  • 1-alfc
  • 2(1h)-pyrimidinone, 4-amino-1-(2,3-anhydro-beta-d-lyxofuranosyl)-
  • 4-amino-1-[(1s,2r,4r,5s)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-pyrimidinone
  • 4-amino-1-[(1s,2r,4r,5s)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(1s,2r,4r,5s)-4-methylol-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
CAS Number(s)
  • 34989-27-0
InChIKey WIPSIZKSUXRXHP-YDKYIBAVSA-N
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