7-[(2S,3S,4S,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1H-Pyrrolo[2,3-D]Pyrimidine-3,7-Diium-7A-Ylium-4-One
Properties
Property | Value |
---|---|
Formula | C11H14N3O5+ |
IUPAC Name | 7-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-7a-ylium-4-one |
Molecular Mass | 268.246 g·mol−1 |
Heat of Formation | -663.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.58 ± 1.08 D |
Volume | 285.17 Å 3 |
Surface Area | 254.07 Å 2 |
HOMO Energy | -8.79 ± 0.55 eV |
LUMO Energy | -0.36 ± eV |
Point Group Symmetry | C1 |
InChIKey | NFWANEVKEWLVBC-PJFCORBGSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |