7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1,6-Dihydropyrrolo[2,3-D]Pyrimidine-3,7-Diium-6-Ylium-4-One
Properties
Property | Value |
---|---|
Formula | C11H14N3O5+ |
IUPAC Name | 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,6-dihydropyrrolo[2,3-d]pyrimidine-3,7-diium-6-ylium-4-one |
Molecular Mass | 268.246 g·mol−1 |
Heat of Formation | -657.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 10.38 ± 1.08 D |
Volume | 287.64 Å 3 |
Surface Area | 257.0 Å 2 |
HOMO Energy | -8.81 ± 0.55 eV |
LUMO Energy | 2.92 ± eV |
Point Group Symmetry | C1 |
InChIKey | NFWANEVKEWLVBC-KCGFPETGSA-O |
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Elements | H C O N |