2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-[(1R)-1-Hydroxyethyl]Tetrahydrofuran-2-Yl]-3H-Purine-1,9-Diium-5-Id-6-One
Properties
Property | Value |
---|---|
Formula | C11H22N5O5+ |
IUPAC Name | (2s,4r,5s,7s)-2-amino-7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(1r)-1-hydroxyethyl]tetrahydrofuran-2-yl]-2,3,4,5,8,9-hexahydro-1h-purin-3-ium-6-one |
Molecular Mass | 304.323 g·mol−1 |
Heat of Formation | -670.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.86 ± 1.08 D |
Volume | 319.1 Å 3 |
Surface Area | 283.28 Å 2 |
HOMO Energy | -9.22 ± 0.55 eV |
LUMO Energy | -0.53 ± eV |
Point Group Symmetry | C1 |
InChIKey | ADBOGCSAYMTKTC-CSOFHMTESA-O |
QR Code | Generate QR Code |
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Elements | H C O N |