4-Amino-1-[(2R,3S,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-3-Isocyano-Tetrahydrofuran-2-Yl]Pyrimidin-3-Ium-2-One
Properties
Property | Value |
---|---|
Formula | C10H15N4O4+ |
IUPAC Name | 4-amino-1-[(2r,3s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-3-(methylidyne-λ5-azanyl)tetrahydrofuran-2-yl]-1h-pyrimidin-1-ium-2-one |
Molecular Mass | 255.250 g·mol−1 |
Heat of Formation | -406.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.93 ± 1.08 D |
Volume | 285.84 Å 3 |
Surface Area | 251.5 Å 2 |
HOMO Energy | -9.53 ± 0.55 eV |
LUMO Energy | 2.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | MHKFJUFMSUKSEA-VCGXYPBASA-O |
QR Code | Generate QR Code |
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Elements | H C O N |