4-Amino-1-[(3Ar,4R,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-[(2r,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-3-ium-2-one
Molecular Mass 305.181 g·mol−1
Heat of Formation -1406.9 ± 16.7 kJ·mol−1
Dipole Moment 8.96 ± 1.08 D
Volume 293.13 Å 3
Surface Area 259.74 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey NMPZCCZXCOMSDQ-XVFCMESISA-O
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