3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7H-Purine-1,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C10H19N4O5+ |
IUPAC Name | (3r,4s,5r)-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,3,4,5,7,8,9-octahydropurin-3-ium-6-one |
Molecular Mass | 275.282 g·mol−1 |
Heat of Formation | -635.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.92 ± 1.08 D |
Volume | 281.39 Å 3 |
Surface Area | 252.23 Å 2 |
HOMO Energy | -9.49 ± 0.55 eV |
LUMO Energy | 2.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | BXPKMRBHXUVIJO-LDGWMWDYSA-O |
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Elements | H C O N |