2-Amino-7-[(2S,3S,4S,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Pyrrolidin-2-Yl]-1H-Pyrrolo[3,2-D]Pyrimidine-3,5-Diium-7A-Ylium-4-One
Properties
Property | Value |
---|---|
Formula | C11H22N5O4+ |
IUPAC Name | 2-amino-7-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1h-pyrrolo[3,2-d]pyrimidine-3,5-diium-7a-ylium-4-one |
Molecular Mass | 288.323 g·mol−1 |
Heat of Formation | -511.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.24 ± 1.08 D |
Volume | 309.8 Å 3 |
Surface Area | 275.91 Å 2 |
HOMO Energy | -9.11 ± 0.55 eV |
LUMO Energy | -0.55 ± eV |
Point Group Symmetry | C1 |
InChIKey | UUJSUDYWWOYBFU-CKAJHFITSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |