2,8-Diamino-9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-[(R)-Hydroxy(Iodo)Methyl]Tetrahydrofuran-2-Yl]-3H-Purine-1,7-Diium-4-Id-6-One
Properties
Property | Value |
---|---|
Formula | C10H15IN6O5+ |
IUPAC Name | 2,8-diamino-9-[(2r,3r,4s,5s)-3,4-dihydroxy-5-[(r)-hydroxy(iodo)methyl]tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one |
Molecular Mass | 426.168 g·mol−1 |
Heat of Formation | -513.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.16 ± 1.08 D |
Volume | 351.39 Å 3 |
Surface Area | 295.86 Å 2 |
HOMO Energy | -9.17 ± 0.55 eV |
LUMO Energy | 2.50 ± eV |
Point Group Symmetry | C1 |
InChIKey | NYQMUQZPADUOKQ-PQDNFBNRSA-P |
QR Code | Generate QR Code |
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Elements | I H C O N |