4-Amino-1-[(3Ar,4S,6S,6Ar)-2-Hydroxy-6-(Hydroxymethyl)-2-Oxidotetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-4-Yl]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H12N3O7P
IUPAC Name 1-[(2s,3ar,4s,6s,6ar)-2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-amino-pyrimidin-2-one
Molecular Mass 305.181 g·mol−1
Heat of Formation -1401.3 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 301.72 Å 3
Surface Area 263.8 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(1r,2s,4s,5r)-7-hydroxy-2-(hydroxymethyl)-7-oxo-3,6,8-trioxa-7$l^{5}-phosphabicyclo[3.3.0]octan-4-yl]-2-pyrimidinone
  • 4-amino-1-[(1r,2s,4s,5r)-7-hydroxy-7-keto-2-methylol-3,6,8-trioxa-7$l^{5}-phosphabicyclo[3.3.0]octan-4-yl]pyrimidin-2-one
InChIKey NMPZCCZXCOMSDQ-IHBLQFBFSA-N
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