7-[(2S,3R,4S,5S)-3,4-Dihydroxy-5-[(1S)-1-Hydroxyethyl]Tetrahydrofuran-2-Yl]-3H-Purine-1,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C11H21N4O5+ |
IUPAC Name | 7-[(2s,3r,4s,5s)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]tetrahydrofuran-2-yl]-3h-purine-1,9-diium-5-id-6-one |
Molecular Mass | 289.308 g·mol−1 |
Heat of Formation | -669.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.38 ± 1.08 D |
Volume | 298.62 Å 3 |
Surface Area | 263.64 Å 2 |
HOMO Energy | -9.15 ± 0.55 eV |
LUMO Energy | 2.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | XERMOVKYRGGJTP-BHRYXJSGSA-O |
QR Code | Generate QR Code |
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Elements | H C O N |