4-Amino-1-[(2R,4R)-2-(Hydroxymethyl)-1,3-Dioxolan-4-Yl]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C8H11N3O4
IUPAC Name 4-amino-1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Molecular Mass 213.191 g·mol−1
Heat of Formation -564.6 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 233.69 Å 3
Surface Area 223.43 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(2r,4r)-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]cytosine
  • (+)-d-.b.-dioxolanec
  • (+)-d-.beta.-dioxolane-cytosine
  • (+/-)-1-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]cytosine
  • (+/-)-dioxolane-c
  • (+/-)-doc
  • 4-amino-1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-pyrimidinone
  • 4-amino-1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4r)-2-methylol-1,3-dioxolan-4-yl]pyrimidin-2-one
  • cis-dioxolane-c
  • d-doc
InChIKey RXRGZNYSEHTMHC-RNFRBKRXSA-N
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