7-[[(1R,3R,4R)-3-Hydroxy-4-(Hydroxymethyl)Pyrrolidin-1-Yl]Methyl]-1H-Pyrrolo[3,2-D]Pyrimidine-3,5-Diium-7-Id-4-One
Properties
Property | Value |
---|---|
Formula | C12H23N4O3+ |
IUPAC Name | (4ar,7s,7as)-7-[[(3r,4r)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,2,3,4a,5,6,7,7a-octahydropyrrolo[3,2-d]pyrimidin-1-ium-4-one |
Molecular Mass | 271.336 g·mol−1 |
Heat of Formation | -336.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.48 ± 1.08 D |
Volume | 305.44 Å 3 |
Surface Area | 273.31 Å 2 |
HOMO Energy | -8.88 ± 0.55 eV |
LUMO Energy | -0.56 ± eV |
Point Group Symmetry | C1 |
InChIKey | INYNDIISMRRGDN-SQQPQDOJSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |